N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide

C8H10F3N3O — CID 90998747

IUPACN,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCc1cc(C(F)(F)F)nn1C(=O)N(C)C
InChIInChI=1S/C8H10F3N3O/c1-5-4-6(8(9,10)11)12-14(5)7(15)13(2)3/h4H,1-3H3
InChIKeyOEIOLJWJZJPSLH-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.74
Rot. Bonds

About N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide

N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 90998747) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID90998747
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCc1cc(C(F)(F)F)nn1C(=O)N(C)C
InChIInChI=1S/C8H10F3N3O/c1-5-4-6(8(9,10)11)12-14(5)7(15)13(2)3/h4H,1-3H3
InChIKeyOEIOLJWJZJPSLH-UHFFFAOYSA-N
XLogP1.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-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 N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide (CID 90998747) is N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide is Cc1cc(C(F)(F)F)nn1C(=O)N(C)C.
What is the InChIKey of N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is OEIOLJWJZJPSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-4-6(8(9,10)11)12-14(5)7(15)13(2)3/h4H,1-3H3.
What are the key properties of N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide?
N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 90998747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).