1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C15H16F3N3O — CID 52638173

IUPAC1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H16F3N3O/c1-2-9-20(11-15(16,17)18)14(22)13-8-10-21(19-13)12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3
InChIKeyZHYJUDKSABBXCB-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.29
Rot. Bonds5

About 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 52638173) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID52638173
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H16F3N3O/c1-2-9-20(11-15(16,17)18)14(22)13-8-10-21(19-13)12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3
InChIKeyZHYJUDKSABBXCB-UHFFFAOYSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 60520905
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 107482740
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514
1-(4-fluorophenyl)-N-[(2-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 112831048
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 63723207
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 52638173) is 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CCCN(CC(F)(F)F)C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is ZHYJUDKSABBXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-2-9-20(11-15(16,17)18)14(22)13-8-10-21(19-13)12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3.
What are the key properties of 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 52638173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).