5-(cyclohexen-1-yl)-1H-pyrazole

C9H12N2 — CID 67152810

IUPAC5-(cyclohexen-1-yl)-1H-pyrazole
SMILESC1=C(c2ccn[nH]2)CCCC1
InChIInChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h4,6-7H,1-3,5H2,(H,10,11)
InChIKeyVWHUZXGKYPMPPK-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.37
Rot. Bonds1

About 5-(cyclohexen-1-yl)-1H-pyrazole

5-(cyclohexen-1-yl)-1H-pyrazole (PubChem CID 67152810) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-1H-pyrazole
PubChem CID67152810
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-(cyclohexen-1-yl)-1H-pyrazole
SMILESC1=C(c2ccn[nH]2)CCCC1
InChIInChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h4,6-7H,1-3,5H2,(H,10,11)
InChIKeyVWHUZXGKYPMPPK-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-1H-pyrazole?
The IUPAC name of 5-(cyclohexen-1-yl)-1H-pyrazole (CID 67152810) is 5-(cyclohexen-1-yl)-1H-pyrazole.
What is the SMILES notation for 5-(cyclohexen-1-yl)-1H-pyrazole?
The canonical SMILES for 5-(cyclohexen-1-yl)-1H-pyrazole is C1=C(c2ccn[nH]2)CCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-1H-pyrazole?
The InChIKey is VWHUZXGKYPMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h4,6-7H,1-3,5H2,(H,10,11).
What are the key properties of 5-(cyclohexen-1-yl)-1H-pyrazole?
5-(cyclohexen-1-yl)-1H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-1H-pyrazole is sourced from PubChem (CID 67152810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).