2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C14H15F2N3O — CID 115875333

IUPAC2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(C(C)C)[nH]n2)c1F
InChIInChI=1S/C14H15F2N3O/c1-7(2)10-6-11(19-18-10)17-14(20)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyXGVCVEBDHHQUDP-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.37
Rot. Bonds3

About 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 115875333) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID115875333
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(C(C)C)[nH]n2)c1F
InChIInChI=1S/C14H15F2N3O/c1-7(2)10-6-11(19-18-10)17-14(20)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyXGVCVEBDHHQUDP-UHFFFAOYSA-N
XLogP3.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610359
2,4,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 112689360
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 47404882
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 115694778
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47404893
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 115875333) is 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is Cc1ccc(F)c(C(=O)Nc2cc(C(C)C)[nH]n2)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is XGVCVEBDHHQUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-7(2)10-6-11(19-18-10)17-14(20)12-9(15)5-4-8(3)13(12)16/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of 2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 279.29 g/mol, XLogP of 3.37, 3 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-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115875333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).