5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide

C18H15ClFN3O — CID 175074764

IUPAC5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(-c2ccc(F)cc2-c2ccccc2Cl)c1C(N)=O
InChIInChI=1S/C18H15ClFN3O/c1-10-16(18(21)24)17(23(2)22-10)13-8-7-11(20)9-14(13)12-5-3-4-6-15(12)19/h3-9H,1-2H3,(H2,21,24)
InChIKeyRKOIPMAQZHFZIC-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.95
Rot. Bonds3

About 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide

5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 175074764) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID175074764
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(-c2ccc(F)cc2-c2ccccc2Cl)c1C(N)=O
InChIInChI=1S/C18H15ClFN3O/c1-10-16(18(21)24)17(23(2)22-10)13-8-7-11(20)9-14(13)12-5-3-4-6-15(12)19/h3-9H,1-2H3,(H2,21,24)
InChIKeyRKOIPMAQZHFZIC-UHFFFAOYSA-N
XLogP3.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 66614030
1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542849
2-(2,5-dichlorophenyl)benzoic acid;3-(difluoromethyl)-5-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide;3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
CID 159702690
5-[2-(4-chlorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-fluoro-3-(4-fluorophenyl)benzene
CID 158174758
5-(2-chlorophenyl)-3-methyltriazole-4-carboxylic acid
CID 105499694
5-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole
CID 161408069
5-amino-1-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)-3-(2-chlorophenyl)pyrazole-4-carbonitrile
CID 11474302
1,3-dimethyl-5-[2-phenyl-6-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 174542850
1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 175873540
5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68570369
1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174557279
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-fluorobenzimidazole-5-carboxamide
CID 137458400

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 175074764) is 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(-c2ccc(F)cc2-c2ccccc2Cl)c1C(N)=O.
What is the InChIKey of 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is RKOIPMAQZHFZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-10-16(18(21)24)17(23(2)22-10)13-8-7-11(20)9-14(13)12-5-3-4-6-15(12)19/h3-9H,1-2H3,(H2,21,24).
What are the key properties of 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide?
5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175074764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).