4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole

C17H24N2 — CID 153413929

IUPAC4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole
SMILESCCc1c(C)cc(C)c(C)c1-c1cnn(C(C)C)c1
InChIInChI=1S/C17H24N2/c1-7-16-13(5)8-12(4)14(6)17(16)15-9-18-19(10-15)11(2)3/h8-11H,7H2,1-6H3
InChIKeyHCDSAPXWBWGPGP-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.62
Rot. Bonds3

About 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole

4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole (PubChem CID 153413929) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole
PubChem CID153413929
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole
SMILESCCc1c(C)cc(C)c(C)c1-c1cnn(C(C)C)c1
InChIInChI=1S/C17H24N2/c1-7-16-13(5)8-12(4)14(6)17(16)15-9-18-19(10-15)11(2)3/h8-11H,7H2,1-6H3
InChIKeyHCDSAPXWBWGPGP-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole 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-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole (CID 153413929) is 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole is CCc1c(C)cc(C)c(C)c1-c1cnn(C(C)C)c1.
What is the InChIKey of 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole?
The InChIKey is HCDSAPXWBWGPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-7-16-13(5)8-12(4)14(6)17(16)15-9-18-19(10-15)11(2)3/h8-11H,7H2,1-6H3.
What are the key properties of 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole?
4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole has a molecular weight of 256.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 153413929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).