N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C19H19N3O3 — CID 850900

IUPACN-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H19N3O3/c1-13-16(12-20-22(13)14-7-5-4-6-8-14)19(23)21-17-11-15(24-2)9-10-18(17)25-3/h4-12H,1-3H3,(H,21,23)
InChIKeyQPVNTIAJMBYEMG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.45
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850900) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850900
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H19N3O3/c1-13-16(12-20-22(13)14-7-5-4-6-8-14)19(23)21-17-11-15(24-2)9-10-18(17)25-3/h4-12H,1-3H3,(H,21,23)
InChIKeyQPVNTIAJMBYEMG-UHFFFAOYSA-N
XLogP3.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
N-(2,4-dimethoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850902
N'-(2-methoxyphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carbohydrazide
CID 2812503
5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2047123
1-ethyl-N-(2-methoxy-4-nitrophenyl)-5-methylpyrazole-4-carboxamide
CID 4343678
5-Methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester
CID 850682
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2243676
[2-(3-Methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 2667677
[4-(2-methoxyphenyl)piperazino](1-phenyl-5-propyl-1H-pyrazol-4-yl)methanone
CID 2811414
N-(2,5-dimethoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3737424

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850900) is N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is QPVNTIAJMBYEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-16(12-20-22(13)14-7-5-4-6-8-14)19(23)21-17-11-15(24-2)9-10-18(17)25-3/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).