1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C13H12F3N3O — CID 45497134

IUPAC1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-19-11(12(20)17-8-13(14,15)16)7-10(18-19)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,20)
InChIKeyHALTUQBDIMOCOH-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.38
Rot. Bonds3

About 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 45497134) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID45497134
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C13H12F3N3O/c1-19-11(12(20)17-8-13(14,15)16)7-10(18-19)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,20)
InChIKeyHALTUQBDIMOCOH-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 45497134) is 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)NCC(F)(F)F.
What is the InChIKey of 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is HALTUQBDIMOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-19-11(12(20)17-8-13(14,15)16)7-10(18-19)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 45497134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).