1-(cyclohexen-1-yl)pyrazole

C9H12N2 — CID 3815896

IUPAC1-(cyclohexen-1-yl)pyrazole
SMILESC1=C(n2cccn2)CCCC1
InChIInChI=1S/C9H12N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4-5,7-8H,1-3,6H2
InChIKeyFSISVZSVWJAWDV-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.30
Rot. Bonds1

About 1-(cyclohexen-1-yl)pyrazole

1-(cyclohexen-1-yl)pyrazole (PubChem CID 3815896) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)pyrazole.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)pyrazole
PubChem CID3815896
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-(cyclohexen-1-yl)pyrazole
SMILESC1=C(n2cccn2)CCCC1
InChIInChI=1S/C9H12N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4-5,7-8H,1-3,6H2
InChIKeyFSISVZSVWJAWDV-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)pyrazole?
The IUPAC name of 1-(cyclohexen-1-yl)pyrazole (CID 3815896) is 1-(cyclohexen-1-yl)pyrazole.
What is the SMILES notation for 1-(cyclohexen-1-yl)pyrazole?
The canonical SMILES for 1-(cyclohexen-1-yl)pyrazole is C1=C(n2cccn2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)pyrazole?
The InChIKey is FSISVZSVWJAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4-5,7-8H,1-3,6H2.
What are the key properties of 1-(cyclohexen-1-yl)pyrazole?
1-(cyclohexen-1-yl)pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)pyrazole is sourced from PubChem (CID 3815896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).