N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C19H19N3O3 — CID 850904

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1OC
InChIInChI=1S/C19H19N3O3/c1-13-16(12-20-22(13)15-7-5-4-6-8-15)19(23)21-14-9-10-17(24-2)18(11-14)25-3/h4-12H,1-3H3,(H,21,23)
InChIKeyVLVOWEIEKREIGL-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.45
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850904) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850904
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1OC
InChIInChI=1S/C19H19N3O3/c1-13-16(12-20-22(13)15-7-5-4-6-8-15)19(23)21-14-9-10-17(24-2)18(11-14)25-3/h4-12H,1-3H3,(H,21,23)
InChIKeyVLVOWEIEKREIGL-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 11837959
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
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
CID 5301257
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
Tert-butyl 4-{4-[(2,3-dihydro-1,4-benzodioxin-6-YL)carbamoyl]-1-phenyl-1H-pyrazol-5-YL}piperidine-1-carboxylate
CID 16024196
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4464934
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
1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2489963

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850904) is N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is VLVOWEIEKREIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-16(12-20-22(13)15-7-5-4-6-8-15)19(23)21-14-9-10-17(24-2)18(11-14)25-3/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).