5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

C18H16ClN3O2 — CID 679804

IUPAC5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12-16(17(19)22(21-12)14-6-4-3-5-7-14)18(23)20-13-8-10-15(24-2)11-9-13/h3-11H,1-2H3,(H,20,23)
InChIKeyQPYKRCIQRBMWRK-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.10
Rot. Bonds4

About 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 679804) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID679804
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12-16(17(19)22(21-12)14-6-4-3-5-7-14)18(23)20-13-8-10-15(24-2)11-9-13/h3-11H,1-2H3,(H,20,23)
InChIKeyQPYKRCIQRBMWRK-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106744
5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2047123
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1000608
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1486875
5-(3-chlorophenoxy)-N-(4-fluorophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1486883
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2-cyano-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2092894

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 679804) is 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is QPYKRCIQRBMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-16(17(19)22(21-12)14-6-4-3-5-7-14)18(23)20-13-8-10-15(24-2)11-9-13/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 679804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).