4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

C5H4F3N3O — CID 90092658

IUPAC4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)2-1-10-11-3(2)4(9)12/h1H,(H2,9,12)(H,10,11)
InChIKeyUQCBXULPFCNTIJ-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.53
Rot. Bonds1

About 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (PubChem CID 90092658) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
PubChem CID90092658
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)2-1-10-11-3(2)4(9)12/h1H,(H2,9,12)(H,10,11)
InChIKeyUQCBXULPFCNTIJ-UHFFFAOYSA-N
XLogP0.53
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-1H-pyrazole-5-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 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CID 90092658) is 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UQCBXULPFCNTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-10-11-3(2)4(9)12/h1H,(H2,9,12)(H,10,11).
What are the key properties of 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
4-(trifluoromethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 179.10 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90092658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).