4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole

C9H13F3N2 — CID 118301780

IUPAC4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)Cc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C9H13F3N2/c1-7(2)3-8-4-13-14(5-8)6-9(10,11)12/h4-5,7H,3,6H2,1-2H3
InChIKeyJNVLLMZWSSIVFD-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.64
Rot. Bonds3

About 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole

4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 118301780) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID118301780
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)Cc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C9H13F3N2/c1-7(2)3-8-4-13-14(5-8)6-9(10,11)12/h4-5,7H,3,6H2,1-2H3
InChIKeyJNVLLMZWSSIVFD-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole 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-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 118301780) is 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)Cc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is JNVLLMZWSSIVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-7(2)3-8-4-13-14(5-8)6-9(10,11)12/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 206.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 118301780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).