3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole

C10H14N2 — CID 90069559

IUPAC3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole
SMILESCC1C=C(C2C=CNN2)C=CC1
InChIInChI=1S/C10H14N2/c1-8-3-2-4-9(7-8)10-5-6-11-12-10/h2,4-8,10-12H,3H2,1H3
InChIKeyLIMDGBCOLFJCNK-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.50
Rot. Bonds1

About 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole

3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole (PubChem CID 90069559) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole
PubChem CID90069559
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole
SMILESCC1C=C(C2C=CNN2)C=CC1
InChIInChI=1S/C10H14N2/c1-8-3-2-4-9(7-8)10-5-6-11-12-10/h2,4-8,10-12H,3H2,1H3
InChIKeyLIMDGBCOLFJCNK-UHFFFAOYSA-N
XLogP1.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-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 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole (CID 90069559) is 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole is CC1C=C(C2C=CNN2)C=CC1.
What is the InChIKey of 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole?
The InChIKey is LIMDGBCOLFJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-3-2-4-9(7-8)10-5-6-11-12-10/h2,4-8,10-12H,3H2,1H3.
What are the key properties of 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole?
3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole has a molecular weight of 162.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 90069559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).