N-(cyclohexylmethyl)-1H-pyrazol-4-amine

C10H17N3 — CID 43540068

IUPACN-(cyclohexylmethyl)-1H-pyrazol-4-amine
SMILESc1n[nH]cc1NCC1CCCCC1
InChIInChI=1S/C10H17N3/c1-2-4-9(5-3-1)6-11-10-7-12-13-8-10/h7-9,11H,1-6H2,(H,12,13)
InChIKeyHCVRQMYFEUWCTL-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.40
Rot. Bonds3

About N-(cyclohexylmethyl)-1H-pyrazol-4-amine

N-(cyclohexylmethyl)-1H-pyrazol-4-amine (PubChem CID 43540068) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1H-pyrazol-4-amine
PubChem CID43540068
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(cyclohexylmethyl)-1H-pyrazol-4-amine
SMILESc1n[nH]cc1NCC1CCCCC1
InChIInChI=1S/C10H17N3/c1-2-4-9(5-3-1)6-11-10-7-12-13-8-10/h7-9,11H,1-6H2,(H,12,13)
InChIKeyHCVRQMYFEUWCTL-UHFFFAOYSA-N
XLogP2.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-1H-pyrazol-4-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)-1H-pyrazol-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-1H-pyrazol-4-amine (CID 43540068) is N-(cyclohexylmethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1H-pyrazol-4-amine is c1n[nH]cc1NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-1H-pyrazol-4-amine?
The InChIKey is HCVRQMYFEUWCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-4-9(5-3-1)6-11-10-7-12-13-8-10/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of N-(cyclohexylmethyl)-1H-pyrazol-4-amine?
N-(cyclohexylmethyl)-1H-pyrazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43540068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).