N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine

C15H23N3 — CID 75496238

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine
SMILESCC(C1CC1)n1nccc1NCC1CC=CCC1
InChIInChI=1S/C15H23N3/c1-12(14-7-8-14)18-15(9-10-17-18)16-11-13-5-3-2-4-6-13/h2-3,9-10,12-14,16H,4-8,11H2,1H3
InChIKeyHSQSAHVYZSLUCH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.62
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine

N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine (PubChem CID 75496238) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine
PubChem CID75496238
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine
SMILESCC(C1CC1)n1nccc1NCC1CC=CCC1
InChIInChI=1S/C15H23N3/c1-12(14-7-8-14)18-15(9-10-17-18)16-11-13-5-3-2-4-6-13/h2-3,9-10,12-14,16H,4-8,11H2,1H3
InChIKeyHSQSAHVYZSLUCH-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.62
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 N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine (CID 75496238) is N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine is CC(C1CC1)n1nccc1NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine?
The InChIKey is HSQSAHVYZSLUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(14-7-8-14)18-15(9-10-17-18)16-11-13-5-3-2-4-6-13/h2-3,9-10,12-14,16H,4-8,11H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine?
N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine has a molecular weight of 245.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(1-cyclopropylethyl)pyrazol-3-amine is sourced from PubChem (CID 75496238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).