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

C13H22BrN3 — CID 90703374

IUPAC4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1[nH]nc(NCC2CCCCC2)c1Br
InChIInChI=1S/C13H22BrN3/c1-2-6-11-12(14)13(17-16-11)15-9-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H2,15,16,17)
InChIKeyQKZYSGHBLMDQHO-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.12
Rot. Bonds5

About 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine

4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine (PubChem CID 90703374) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine
PubChem CID90703374
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1[nH]nc(NCC2CCCCC2)c1Br
InChIInChI=1S/C13H22BrN3/c1-2-6-11-12(14)13(17-16-11)15-9-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H2,15,16,17)
InChIKeyQKZYSGHBLMDQHO-UHFFFAOYSA-N
XLogP4.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-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 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine (CID 90703374) is 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine is CCCc1[nH]nc(NCC2CCCCC2)c1Br.
What is the InChIKey of 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine?
The InChIKey is QKZYSGHBLMDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-2-6-11-12(14)13(17-16-11)15-9-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H2,15,16,17).
What are the key properties of 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine?
4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine has a molecular weight of 300.24 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclohexylmethyl)-5-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 90703374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).