3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide

C24H21N3O3 — CID 26372750

IUPAC3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-29-21-14-12-19(13-15-21)23-22(16-27(25-23)20-10-6-3-7-11-20)24(28)26-30-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H,26,28)
InChIKeyCNYSFCMUTMQWTE-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.41
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide

3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide (PubChem CID 26372750) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
PubChem CID26372750
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-29-21-14-12-19(13-15-21)23-22(16-27(25-23)20-10-6-3-7-11-20)24(28)26-30-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H,26,28)
InChIKeyCNYSFCMUTMQWTE-UHFFFAOYSA-N
XLogP4.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 977138
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-3-[(4-ethylphenoxy)methyl]benzohydrazide
CID 5433770

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide (CID 26372750) is 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is CNYSFCMUTMQWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-21-14-12-19(13-15-21)23-22(16-27(25-23)20-10-6-3-7-11-20)24(28)26-30-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H,26,28).
What are the key properties of 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 26372750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).