1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide

C17H13ClFN3O2 — CID 99701505

IUPAC1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(F)c(NC(=O)c2ccn(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C17H13ClFN3O2/c1-24-11-6-7-13(19)15(10-11)20-17(23)14-8-9-22(21-14)16-5-3-2-4-12(16)18/h2-10H,1H3,(H,20,23)
InChIKeyRYBFAZKEKSXXDC-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 99701505) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID99701505
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(F)c(NC(=O)c2ccn(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C17H13ClFN3O2/c1-24-11-6-7-13(19)15(10-11)20-17(23)14-8-9-22(21-14)16-5-3-2-4-12(16)18/h2-10H,1H3,(H,20,23)
InChIKeyRYBFAZKEKSXXDC-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
4-Chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511740
N-(4-(chlorodifluoromethoxy)phenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431901
1-N-(1,3-benzodioxol-5-yl)-3-N-(2-chloro-4-fluorophenyl)pyrazole-1,3-dicarboxamide
CID 122183860
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 44313595
1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 33956487
3-(2-Chlorophenylcarbamoyl)-1H-pyrazole-1-carboxylic acid 4-chlorophenyl ester
CID 69633023
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
CID 4775217
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284376
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 99702123
N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4774120
N-(2,4-dichlorophenyl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4774167

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide (CID 99701505) is 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide is COc1ccc(F)c(NC(=O)c2ccn(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is RYBFAZKEKSXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-24-11-6-7-13(19)15(10-11)20-17(23)14-8-9-22(21-14)16-5-3-2-4-12(16)18/h2-10H,1H3,(H,20,23).
What are the key properties of 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 345.76 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-fluoro-5-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 99701505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).