3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C14H16FN3O — CID 47404897

IUPAC3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1F
InChIInChI=1S/C14H16FN3O/c1-8(2)12-7-13(18-17-12)16-14(19)10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyYWUINTUERWUXFB-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.23
Rot. Bonds3

About 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 47404897) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID47404897
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1F
InChIInChI=1S/C14H16FN3O/c1-8(2)12-7-13(18-17-12)16-14(19)10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyYWUINTUERWUXFB-UHFFFAOYSA-N
XLogP3.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 115694778
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610359
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 47404897) is 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is YWUINTUERWUXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8(2)12-7-13(18-17-12)16-14(19)10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 261.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 47404897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).