2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide

C12H16F3N3O — CID 4119687

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O/c1-7(2)16-11(19)6-18-9(8-3-4-8)5-10(17-18)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H,16,19)
InChIKeyZDDFXCVHOVDMQV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.30
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 4119687) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID4119687
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O/c1-7(2)16-11(19)6-18-9(8-3-4-8)5-10(17-18)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H,16,19)
InChIKeyZDDFXCVHOVDMQV-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide 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 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide (CID 4119687) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZDDFXCVHOVDMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7(2)16-11(19)6-18-9(8-3-4-8)5-10(17-18)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H,16,19).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 275.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 4119687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).