N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide

C17H13ClFN3O — CID 55651530

IUPACN-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C17H13ClFN3O/c1-11-12(18)5-4-7-14(11)20-17(23)15-9-10-22(21-15)16-8-3-2-6-13(16)19/h2-10H,1H3,(H,20,23)
InChIKeyQYPYKSUZIDWFMJ-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.23
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 55651530) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID55651530
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C17H13ClFN3O/c1-11-12(18)5-4-7-14(11)20-17(23)15-9-10-22(21-15)16-8-3-2-6-13(16)19/h2-10H,1H3,(H,20,23)
InChIKeyQYPYKSUZIDWFMJ-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55647998
N-[3-[(dimethylamino)methyl]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 86980854
1-(2-fluorophenyl)-N-(2-methyl-1H-indol-5-yl)pyrazole-3-carboxamide
CID 78866415
N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474859
N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38802898
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
1-(2-fluorophenyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpyrazole-3-carboxamide
CID 56784157
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide (CID 55651530) is N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is QYPYKSUZIDWFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-11-12(18)5-4-7-14(11)20-17(23)15-9-10-22(21-15)16-8-3-2-6-13(16)19/h2-10H,1H3,(H,20,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 329.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55651530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).