4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide

C11H9ClFN3O — CID 6467156

IUPAC4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H9ClFN3O/c1-16-10(9(12)6-14-16)11(17)15-8-4-2-3-7(13)5-8/h2-6H,1H3,(H,15,17)
InChIKeyDNUMENZECVMDKU-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.46
Rot. Bonds2

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

4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 6467156) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID6467156
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H9ClFN3O/c1-16-10(9(12)6-14-16)11(17)15-8-4-2-3-7(13)5-8/h2-6H,1H3,(H,15,17)
InChIKeyDNUMENZECVMDKU-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475916
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4615060
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
4-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475917
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 50981583
5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916
4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid
CID 12985697
N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 131925440
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 6467156) is 4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is DNUMENZECVMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-16-10(9(12)6-14-16)11(17)15-8-4-2-3-7(13)5-8/h2-6H,1H3,(H,15,17).
What are the key properties of 4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 253.66 g/mol, XLogP of 2.46, 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-methylpyrazole-5-carboxamide is sourced from PubChem (CID 6467156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).