3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine

C10H15N3 — CID 13488659

IUPAC3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC=CCC2)cc1N
InChIInChI=1S/C10H15N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-3,7-8H,4-6,11H2,1H3
InChIKeyXFASFJHJEANXRV-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.83
Rot. Bonds1

About 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine

3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine (PubChem CID 13488659) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine
PubChem CID13488659
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC=CCC2)cc1N
InChIInChI=1S/C10H15N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-3,7-8H,4-6,11H2,1H3
InChIKeyXFASFJHJEANXRV-UHFFFAOYSA-N
XLogP1.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.83
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 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine?
The IUPAC name of 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine (CID 13488659) is 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine?
The canonical SMILES for 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine is Cn1nc(C2CC=CCC2)cc1N.
What is the InChIKey of 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine?
The InChIKey is XFASFJHJEANXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-3,7-8H,4-6,11H2,1H3.
What are the key properties of 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine?
3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine has a molecular weight of 177.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-1-methylpyrazol-5-amine is sourced from PubChem (CID 13488659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).