3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C8H10F3N3O — CID 43582806

IUPAC3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4-6(5(2)14-13-4)7(15)12-3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXWQIAHABSIZXMZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.32
Rot. Bonds2

About 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582806) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID43582806
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4-6(5(2)14-13-4)7(15)12-3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXWQIAHABSIZXMZ-UHFFFAOYSA-N
XLogP1.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 43582806) is 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XWQIAHABSIZXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-6(5(2)14-13-4)7(15)12-3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).