2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide

C11H9F2N3O — CID 82816091

IUPAC2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2cn[nH]c2)c1F
InChIInChI=1S/C11H9F2N3O/c1-6-2-3-8(12)9(10(6)13)11(17)16-7-4-14-15-5-7/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyADLJORDTLDLBFR-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.25
Rot. Bonds2

About 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide

2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 82816091) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID82816091
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2cn[nH]c2)c1F
InChIInChI=1S/C11H9F2N3O/c1-6-2-3-8(12)9(10(6)13)11(17)16-7-4-14-15-5-7/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyADLJORDTLDLBFR-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289
N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82819010
N-[4-(cyanomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82797666
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
2,6-difluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 82815861
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
4-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 66335411
3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
CID 82798153
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide
CID 63185488

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide (CID 82816091) is 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide is Cc1ccc(F)c(C(=O)Nc2cn[nH]c2)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is ADLJORDTLDLBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-6-2-3-8(12)9(10(6)13)11(17)16-7-4-14-15-5-7/h2-5H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide?
2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 237.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 82816091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).