3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole

C11H14N2 — CID 89066192

IUPAC3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole
SMILESCc1cc(C2C=CC=CC2)nn1C
InChIInChI=1S/C11H14N2/c1-9-8-11(12-13(9)2)10-6-4-3-5-7-10/h3-6,8,10H,7H2,1-2H3
InChIKeyCENRASWOGIIPOW-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.33
Rot. Bonds1

About 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole

3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole (PubChem CID 89066192) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole
PubChem CID89066192
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole
SMILESCc1cc(C2C=CC=CC2)nn1C
InChIInChI=1S/C11H14N2/c1-9-8-11(12-13(9)2)10-6-4-3-5-7-10/h3-6,8,10H,7H2,1-2H3
InChIKeyCENRASWOGIIPOW-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole (CID 89066192) is 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole is Cc1cc(C2C=CC=CC2)nn1C.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole?
The InChIKey is CENRASWOGIIPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-8-11(12-13(9)2)10-6-4-3-5-7-10/h3-6,8,10H,7H2,1-2H3.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole?
3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole has a molecular weight of 174.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-1,5-dimethylpyrazole is sourced from PubChem (CID 89066192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).