4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole

C12H18N2 — CID 70215365

IUPAC4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole
SMILESCC(C)C1=CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C12H18N2/c1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12/h3,7-9,11H,4-6H2,1-2H3,(H,13,14)
InChIKeyCOLYWAPTZCUZBW-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.26
Rot. Bonds2

About 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole

4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole (PubChem CID 70215365) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole
PubChem CID70215365
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole
SMILESCC(C)C1=CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C12H18N2/c1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12/h3,7-9,11H,4-6H2,1-2H3,(H,13,14)
InChIKeyCOLYWAPTZCUZBW-UHFFFAOYSA-N
XLogP3.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.26
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 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole?
The IUPAC name of 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole (CID 70215365) is 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole.
What is the SMILES notation for 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole?
The canonical SMILES for 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole is CC(C)C1=CCC(c2cn[nH]c2)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole?
The InChIKey is COLYWAPTZCUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12/h3,7-9,11H,4-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole?
4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole has a molecular weight of 190.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohex-3-en-1-yl)-1H-pyrazole is sourced from PubChem (CID 70215365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).