5-cyclohex-2-en-1-yl-1H-pyrazole

C9H12N2 — CID 91103303

IUPAC5-cyclohex-2-en-1-yl-1H-pyrazole
SMILESC1=CC(c2ccn[nH]2)CCC1
InChIInChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h2,4,6-8H,1,3,5H2,(H,10,11)
InChIKeyZVNBMCPIULFNLL-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.23
Rot. Bonds1

About 5-cyclohex-2-en-1-yl-1H-pyrazole

5-cyclohex-2-en-1-yl-1H-pyrazole (PubChem CID 91103303) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-1H-pyrazole
PubChem CID91103303
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-cyclohex-2-en-1-yl-1H-pyrazole
SMILESC1=CC(c2ccn[nH]2)CCC1
InChIInChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h2,4,6-8H,1,3,5H2,(H,10,11)
InChIKeyZVNBMCPIULFNLL-UHFFFAOYSA-N
XLogP2.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-1H-pyrazole?
The IUPAC name of 5-cyclohex-2-en-1-yl-1H-pyrazole (CID 91103303) is 5-cyclohex-2-en-1-yl-1H-pyrazole.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-1H-pyrazole?
The canonical SMILES for 5-cyclohex-2-en-1-yl-1H-pyrazole is C1=CC(c2ccn[nH]2)CCC1.
What is the InChIKey of 5-cyclohex-2-en-1-yl-1H-pyrazole?
The InChIKey is ZVNBMCPIULFNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h2,4,6-8H,1,3,5H2,(H,10,11).
What are the key properties of 5-cyclohex-2-en-1-yl-1H-pyrazole?
5-cyclohex-2-en-1-yl-1H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-1H-pyrazole is sourced from PubChem (CID 91103303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).