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

C12H11ClFN3O — CID 39853991

IUPAC4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2cccc(F)c2)nn1C
InChIInChI=1S/C12H11ClFN3O/c1-7-10(13)11(16-17(7)2)12(18)15-9-5-3-4-8(14)6-9/h3-6H,1-2H3,(H,15,18)
InChIKeyCPTXJFPLNTWCTI-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.77
Rot. Bonds2

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

4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 39853991) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID39853991
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2cccc(F)c2)nn1C
InChIInChI=1S/C12H11ClFN3O/c1-7-10(13)11(16-17(7)2)12(18)15-9-5-3-4-8(14)6-9/h3-6H,1-2H3,(H,15,18)
InChIKeyCPTXJFPLNTWCTI-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-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266964
2-[3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 122109426
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4615060
4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266700
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19266677
4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266958
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 75538640
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 39853991) is 4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)Nc2cccc(F)c2)nn1C.
What is the InChIKey of 4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CPTXJFPLNTWCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-10(13)11(16-17(7)2)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)-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-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)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 39853991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).