N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide

C19H19N3O2 — CID 18166420

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnn(C)c2)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-22-13-16(12-20-22)19(23)21-18(14-6-4-3-5-7-14)15-8-10-17(24-2)11-9-15/h3-13,18H,1-2H3,(H,21,23)
InChIKeyYBMQKSHSMVLVHA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.95
Rot. Bonds5

About N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide

N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 18166420) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
PubChem CID18166420
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnn(C)c2)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-22-13-16(12-20-22)19(23)21-18(14-6-4-3-5-7-14)15-8-10-17(24-2)11-9-15/h3-13,18H,1-2H3,(H,21,23)
InChIKeyYBMQKSHSMVLVHA-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
CID 51596087
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46483775
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(1R)-1-(4-methoxyphenyl)propyl]-1-phenylpyrazole-4-carboxamide
CID 27853835

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide (CID 18166420) is N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide is COc1ccc(C(NC(=O)c2cnn(C)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YBMQKSHSMVLVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-13-16(12-20-22)19(23)21-18(14-6-4-3-5-7-14)15-8-10-17(24-2)11-9-15/h3-13,18H,1-2H3,(H,21,23).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide?
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 18166420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).