2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine

C13H21N3 — CID 89482608

IUPAC2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine
SMILESCC(C)C1C=CCC(C)(n2nccc2N)C1
InChIInChI=1S/C13H21N3/c1-10(2)11-5-4-7-13(3,9-11)16-12(14)6-8-15-16/h4-6,8,10-11H,7,9,14H2,1-3H3
InChIKeyNFHPWDXITVZGOV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds2

About 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine

2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine (PubChem CID 89482608) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine
PubChem CID89482608
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine
SMILESCC(C)C1C=CCC(C)(n2nccc2N)C1
InChIInChI=1S/C13H21N3/c1-10(2)11-5-4-7-13(3,9-11)16-12(14)6-8-15-16/h4-6,8,10-11H,7,9,14H2,1-3H3
InChIKeyNFHPWDXITVZGOV-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.80
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-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine?
The IUPAC name of 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine (CID 89482608) is 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine?
The canonical SMILES for 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine is CC(C)C1C=CCC(C)(n2nccc2N)C1.
What is the InChIKey of 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine?
The InChIKey is NFHPWDXITVZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)11-5-4-7-13(3,9-11)16-12(14)6-8-15-16/h4-6,8,10-11H,7,9,14H2,1-3H3.
What are the key properties of 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine?
2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine is sourced from PubChem (CID 89482608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).