N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine

C13H23N3 — CID 91533993

IUPACN-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1cc(NCC2CCCCC2)n[nH]1
InChIInChI=1S/C13H23N3/c1-2-6-12-9-13(16-15-12)14-10-11-7-4-3-5-8-11/h9,11H,2-8,10H2,1H3,(H2,14,15,16)
InChIKeyVKBBXJYGMZOQAX-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.35
Rot. Bonds5

About N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine

N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine (PubChem CID 91533993) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine
PubChem CID91533993
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1cc(NCC2CCCCC2)n[nH]1
InChIInChI=1S/C13H23N3/c1-2-6-12-9-13(16-15-12)14-10-11-7-4-3-5-8-11/h9,11H,2-8,10H2,1H3,(H2,14,15,16)
InChIKeyVKBBXJYGMZOQAX-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-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 N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine (CID 91533993) is N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine is CCCc1cc(NCC2CCCCC2)n[nH]1.
What is the InChIKey of N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine?
The InChIKey is VKBBXJYGMZOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-6-12-9-13(16-15-12)14-10-11-7-4-3-5-8-11/h9,11H,2-8,10H2,1H3,(H2,14,15,16).
What are the key properties of N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine?
N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 91533993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).