N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide

C13H18F3N3O — CID 59866003

IUPACN-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1cc(NC(=O)C(F)(F)F)n(CC2CC2)n1
InChIInChI=1S/C13H18F3N3O/c1-12(2,3)9-6-10(17-11(20)13(14,15)16)19(18-9)7-8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,17,20)
InChIKeyKAXFGIFRAWGBOU-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.09
Rot. Bonds3

About N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide

N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 59866003) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID59866003
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1cc(NC(=O)C(F)(F)F)n(CC2CC2)n1
InChIInChI=1S/C13H18F3N3O/c1-12(2,3)9-6-10(17-11(20)13(14,15)16)19(18-9)7-8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,17,20)
InChIKeyKAXFGIFRAWGBOU-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide 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-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide (CID 59866003) is N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide is CC(C)(C)c1cc(NC(=O)C(F)(F)F)n(CC2CC2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is KAXFGIFRAWGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-12(2,3)9-6-10(17-11(20)13(14,15)16)19(18-9)7-8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,17,20).
What are the key properties of N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 289.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59866003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).