4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

C13H23N3 — CID 61284882

IUPAC4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccn[nH]2)CC1
InChIInChI=1S/C13H23N3/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15-16-13/h8-9,11-12,14H,2-7,10H2,1H3,(H,15,16)
InChIKeyNFDKWNCJUSEVGX-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.86
Rot. Bonds5

About 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 61284882) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID61284882
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccn[nH]2)CC1
InChIInChI=1S/C13H23N3/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15-16-13/h8-9,11-12,14H,2-7,10H2,1H3,(H,15,16)
InChIKeyNFDKWNCJUSEVGX-UHFFFAOYSA-N
XLogP2.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (CID 61284882) is 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is CCCC1CCC(NCc2ccn[nH]2)CC1.
What is the InChIKey of 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is NFDKWNCJUSEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15-16-13/h8-9,11-12,14H,2-7,10H2,1H3,(H,15,16).
What are the key properties of 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61284882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).