1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole

C11H14N2 — CID 58801195

IUPAC1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole
SMILESCC1C=CC(n2cccn2)=CC1C
InChIInChI=1S/C11H14N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13/h3-10H,1-2H3
InChIKeyFKXUUDRUJQCCEY-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.57
Rot. Bonds1

About 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole

1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole (PubChem CID 58801195) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole
PubChem CID58801195
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole
SMILESCC1C=CC(n2cccn2)=CC1C
InChIInChI=1S/C11H14N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13/h3-10H,1-2H3
InChIKeyFKXUUDRUJQCCEY-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole?
The IUPAC name of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole (CID 58801195) is 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole.
What is the SMILES notation for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole?
The canonical SMILES for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole is CC1C=CC(n2cccn2)=CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole?
The InChIKey is FKXUUDRUJQCCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-4-5-11(8-10(9)2)13-7-3-6-12-13/h3-10H,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole?
1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole has a molecular weight of 174.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)pyrazole is sourced from PubChem (CID 58801195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).