1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide

C18H16ClN3O2 — CID 29202321

IUPAC1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H16ClN3O2/c1-24-17-8-7-15(19)9-16(17)21-18(23)14-10-20-22(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyZHFWZJVBHZJWOA-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.85
Rot. Bonds5

About 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 29202321) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID29202321
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H16ClN3O2/c1-24-17-8-7-15(19)9-16(17)21-18(23)14-10-20-22(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyZHFWZJVBHZJWOA-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(E)-3-(1-benzylpyrazol-4-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
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1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
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CID 43025551
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyrimidine-5-carboxamide
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N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
1-benzyl-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]triazole-4-carboxamide
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1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109234876

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide (CID 29202321) is 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is ZHFWZJVBHZJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-17-8-7-15(19)9-16(17)21-18(23)14-10-20-22(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 29202321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).