4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide

C12H11ClFN3O — CID 4615060

IUPAC4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cccc(F)c2)c1Cl
InChIInChI=1S/C12H11ClFN3O/c1-7-10(13)11(17(2)16-7)12(18)15-9-5-3-4-8(14)6-9/h3-6H,1-2H3,(H,15,18)
InChIKeyYBIAFXBEDRFNPW-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.77
Rot. Bonds2

About 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 4615060) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID4615060
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cccc(F)c2)c1Cl
InChIInChI=1S/C12H11ClFN3O/c1-7-10(13)11(17(2)16-7)12(18)15-9-5-3-4-8(14)6-9/h3-6H,1-2H3,(H,15,18)
InChIKeyYBIAFXBEDRFNPW-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(Z)-1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1,3-dimethylpyrazole-5-carboxamide
CID 6006651
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 19476903
4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 3604338
4-chloro-N-(3-hydroxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506719
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761
methyl 3-chloro-6-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 19477078
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 4615060) is 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2cccc(F)c2)c1Cl.
What is the InChIKey of 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YBIAFXBEDRFNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-10(13)11(17(2)16-7)12(18)15-9-5-3-4-8(14)6-9/h3-6H,1-2H3,(H,15,18).
What are the key properties of 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 267.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 4615060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).