2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C13H12F3N3O — CID 115647444

IUPAC2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2c(F)cc(F)cc2F)n[nH]1
InChIInChI=1S/C13H12F3N3O/c1-2-3-8-6-11(19-18-8)17-13(20)12-9(15)4-7(14)5-10(12)16/h4-6H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyFDJPLRZGZNDMAO-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.03
Rot. Bonds4

About 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide

2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 115647444) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID115647444
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2c(F)cc(F)cc2F)n[nH]1
InChIInChI=1S/C13H12F3N3O/c1-2-3-8-6-11(19-18-8)17-13(20)12-9(15)4-7(14)5-10(12)16/h4-6H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyFDJPLRZGZNDMAO-UHFFFAOYSA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115686752
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
2,4,5-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 115621116
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 115647444) is 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2c(F)cc(F)cc2F)n[nH]1.
What is the InChIKey of 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is FDJPLRZGZNDMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-3-8-6-11(19-18-8)17-13(20)12-9(15)4-7(14)5-10(12)16/h4-6H,2-3H2,1H3,(H2,17,18,19,20).
What are the key properties of 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 283.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115647444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).