3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole

C10H12N2 — CID 58717057

IUPAC3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole
SMILESCC1=NN=C(C2=CCCC=C2)C1
InChIInChI=1S/C10H12N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h3,5-6H,2,4,7H2,1H3
InChIKeyLJCSSJCKTXYEPT-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.48
Rot. Bonds1

About 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole

3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole (PubChem CID 58717057) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole
PubChem CID58717057
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole
SMILESCC1=NN=C(C2=CCCC=C2)C1
InChIInChI=1S/C10H12N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h3,5-6H,2,4,7H2,1H3
InChIKeyLJCSSJCKTXYEPT-UHFFFAOYSA-N
XLogP2.48
TPSA24.72 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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Diazo-1-(3-fluoroprop-2-enyl)cyclohexa-1,3-diene
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p-Dimethyldiazobenzene
CID 129817070
Diazo-azulene
CID 145722118
[[6-(6-Diazonioimino-2-methylcyclohexa-2,4-dien-1-ylidene)-5-methylcyclohexa-2,4-dien-1-ylidene]hydrazinylidene]azanide
CID 12613657
3-[3,3'-Dimethyl-4'-(triaz-2-yn-2-ium-1-ylidene)[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]-4-ylidene]triaz-1-en-1-ide
CID 14121606
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole (CID 58717057) is 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole is CC1=NN=C(C2=CCCC=C2)C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole?
The InChIKey is LJCSSJCKTXYEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h3,5-6H,2,4,7H2,1H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole?
3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole has a molecular weight of 160.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole is sourced from PubChem (CID 58717057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).