1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone

C14H19F3N2O — CID 82696898

IUPAC1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone
SMILESCCc1nn(CCC2CC2)c(CC)c1C(=O)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-10-12(13(20)14(15,16)17)11(4-2)19(18-10)8-7-9-5-6-9/h9H,3-8H2,1-2H3
InChIKeyVZSWREXJZWKUGU-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.55
Rot. Bonds6

About 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone

1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone (PubChem CID 82696898) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone
PubChem CID82696898
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone
SMILESCCc1nn(CCC2CC2)c(CC)c1C(=O)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-10-12(13(20)14(15,16)17)11(4-2)19(18-10)8-7-9-5-6-9/h9H,3-8H2,1-2H3
InChIKeyVZSWREXJZWKUGU-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone 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 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone (CID 82696898) is 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone is CCc1nn(CCC2CC2)c(CC)c1C(=O)C(F)(F)F.
What is the InChIKey of 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is VZSWREXJZWKUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-10-12(13(20)14(15,16)17)11(4-2)19(18-10)8-7-9-5-6-9/h9H,3-8H2,1-2H3.
What are the key properties of 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone?
1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 288.31 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopropylethyl)-3,5-diethylpyrazol-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 82696898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).