N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide

C13H13F3N4O — CID 71845871

IUPACN,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1c(Nc2ccccc2C(F)(F)F)n[nH]c1C
InChIInChI=1S/C13H13F3N4O/c1-7-10(12(21)17-2)11(20-19-7)18-9-6-4-3-5-8(9)13(14,15)16/h3-6H,1-2H3,(H,17,21)(H2,18,19,20)
InChIKeyXFCBCELZJATUPP-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.84
Rot. Bonds3

About N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide

N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 71845871) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide
PubChem CID71845871
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1c(Nc2ccccc2C(F)(F)F)n[nH]c1C
InChIInChI=1S/C13H13F3N4O/c1-7-10(12(21)17-2)11(20-19-7)18-9-6-4-3-5-8(9)13(14,15)16/h3-6H,1-2H3,(H,17,21)(H2,18,19,20)
InChIKeyXFCBCELZJATUPP-UHFFFAOYSA-N
XLogP2.84
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide (CID 71845871) is N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide is CNC(=O)c1c(Nc2ccccc2C(F)(F)F)n[nH]c1C.
What is the InChIKey of N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is XFCBCELZJATUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-7-10(12(21)17-2)11(20-19-7)18-9-6-4-3-5-8(9)13(14,15)16/h3-6H,1-2H3,(H,17,21)(H2,18,19,20).
What are the key properties of N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide?
N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-[2-(trifluoromethyl)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71845871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).