6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide

C11H9ClFN3O — CID 171061998

IUPAC6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1c(F)ccc(Cl)c1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H9ClFN3O/c1-6-8(13)3-2-7(12)10(6)11(17)15-9-4-5-14-16-9/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyVCSIZDCJMMLHHP-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.76
Rot. Bonds2

About 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide

6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 171061998) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide
PubChem CID171061998
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1c(F)ccc(Cl)c1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H9ClFN3O/c1-6-8(13)3-2-7(12)10(6)11(17)15-9-4-5-14-16-9/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyVCSIZDCJMMLHHP-UHFFFAOYSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methyl-N-(1H-pyrazol-5-yl)benzamide
CID 171062052
2,4-difluoro-6-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 47466440
3,5-dichloro-2-oxo-N-(1H-pyrazol-5-yl)-1H-pyridine-4-carboxamide
CID 68843100
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
N-(1H-pyrazol-5-yl)-2H-triazole-4-carboxamide
CID 78980090
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide
CID 110464791
2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide
CID 79194088
2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
CID 107261878
5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 62815610
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide (CID 171061998) is 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide is Cc1c(F)ccc(Cl)c1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is VCSIZDCJMMLHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-8(13)3-2-7(12)10(6)11(17)15-9-4-5-14-16-9/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide?
6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 253.66 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 171061998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).