4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole

C12H14N2 — CID 604144

IUPAC4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1C1C=CC=CC=C1
InChIInChI=1S/C12H14N2/c1-9-12(10(2)14-13-9)11-7-5-3-4-6-8-11/h3-8,11H,1-2H3,(H,13,14)
InChIKeyVDMVZIRQAUSHKM-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.79
Rot. Bonds1

About 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole

4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole (PubChem CID 604144) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole
PubChem CID604144
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1C1C=CC=CC=C1
InChIInChI=1S/C12H14N2/c1-9-12(10(2)14-13-9)11-7-5-3-4-6-8-11/h3-8,11H,1-2H3,(H,13,14)
InChIKeyVDMVZIRQAUSHKM-UHFFFAOYSA-N
XLogP2.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-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-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole (CID 604144) is 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1C1C=CC=CC=C1.
What is the InChIKey of 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole?
The InChIKey is VDMVZIRQAUSHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-12(10(2)14-13-9)11-7-5-3-4-6-8-11/h3-8,11H,1-2H3,(H,13,14).
What are the key properties of 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole?
4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-2,4,6-trien-1-yl-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 604144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).