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

C19H19N3O3 — CID 850902

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

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

N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850902) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850902
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)c(OC)c1
InChIInChI=1S/C19H19N3O3/c1-13-16(12-20-22(13)14-7-5-4-6-8-14)19(23)21-17-10-9-15(24-2)11-18(17)25-3/h4-12H,1-3H3,(H,21,23)
InChIKeyVHXQPURBGHQFAU-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850902) is N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is VHXQPURBGHQFAU-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)21-17-10-9-15(24-2)11-18(17)25-3/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(2,4-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-(2,4-dimethoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).