1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole

C10H12N2 — CID 142900674

IUPAC1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole
SMILESCC1CC=CC=C1n1cccn1
InChIInChI=1S/C10H12N2/c1-9-5-2-3-6-10(9)12-8-4-7-11-12/h2-4,6-9H,5H2,1H3
InChIKeyLJXTZNRYMAADAI-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.32
Rot. Bonds1

About 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole

1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole (PubChem CID 142900674) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole.

Molecular Properties

Compound Name1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole
PubChem CID142900674
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole
SMILESCC1CC=CC=C1n1cccn1
InChIInChI=1S/C10H12N2/c1-9-5-2-3-6-10(9)12-8-4-7-11-12/h2-4,6-9H,5H2,1H3
InChIKeyLJXTZNRYMAADAI-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole?
The IUPAC name of 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole (CID 142900674) is 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole.
What is the SMILES notation for 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole?
The canonical SMILES for 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole is CC1CC=CC=C1n1cccn1.
What is the InChIKey of 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole?
The InChIKey is LJXTZNRYMAADAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-9-5-2-3-6-10(9)12-8-4-7-11-12/h2-4,6-9H,5H2,1H3.
What are the key properties of 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole?
1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole has a molecular weight of 160.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexa-1,3-dien-1-yl)pyrazole is sourced from PubChem (CID 142900674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).