TL;DR: N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide (CAS 1005590-27-1) is a chemical compound with molecular formula C16H17N5O2 and molecular weight 311.1382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
Also Known As: N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(phenoxymethyl)-1H-pyrazole-3-carboxamide, N-[(1-methylpyrazol-4-yl)methyl][1-(phenoxymethyl)pyrazol-3-yl]carboxamide
| Molecular Formula | C16H17N5O2 |
| Molecular Weight | 311.1382 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1382 Da |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
| SMILES | CN1C=C(C=N1)CNC(=O)C2=NN(C=C2)COC3=CC=CC=C3 |
| InChIKey | PNMKQEYHNIWPLB-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is 1005590-27-1.
The molecular formula of N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is C16H17N5O2.
The molecular weight of N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide is 311.1382 g/mol.
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