2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine

C11H17N3 — CID 89482853

IUPAC2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine
SMILESCC1C=CCC(C)(n2nccc2N)C1
InChIInChI=1S/C11H17N3/c1-9-4-3-6-11(2,8-9)14-10(12)5-7-13-14/h3-5,7,9H,6,8,12H2,1-2H3
InChIKeyWBDFXZGZXZNRSR-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.17
Rot. Bonds1

About 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine

2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine (PubChem CID 89482853) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine
PubChem CID89482853
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine
SMILESCC1C=CCC(C)(n2nccc2N)C1
InChIInChI=1S/C11H17N3/c1-9-4-3-6-11(2,8-9)14-10(12)5-7-13-14/h3-5,7,9H,6,8,12H2,1-2H3
InChIKeyWBDFXZGZXZNRSR-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine?
The IUPAC name of 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine (CID 89482853) is 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine?
The canonical SMILES for 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine is CC1C=CCC(C)(n2nccc2N)C1.
What is the InChIKey of 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine?
The InChIKey is WBDFXZGZXZNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-4-3-6-11(2,8-9)14-10(12)5-7-13-14/h3-5,7,9H,6,8,12H2,1-2H3.
What are the key properties of 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine?
2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine has a molecular weight of 191.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylcyclohex-3-en-1-yl)pyrazol-3-amine is sourced from PubChem (CID 89482853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).