4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine

C15H20BrN3 — CID 114752922

IUPAC4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
SMILESCCCCCCc1[nH]nc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C15H20BrN3/c1-2-3-4-5-9-13-14(15(17)19-18-13)11-7-6-8-12(16)10-11/h6-8,10H,2-5,9H2,1H3,(H3,17,18,19)
InChIKeyUBQLJGOSGWYNEA-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.54
Rot. Bonds6

About 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine

4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine (PubChem CID 114752922) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
PubChem CID114752922
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
SMILESCCCCCCc1[nH]nc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C15H20BrN3/c1-2-3-4-5-9-13-14(15(17)19-18-13)11-7-6-8-12(16)10-11/h6-8,10H,2-5,9H2,1H3,(H3,17,18,19)
InChIKeyUBQLJGOSGWYNEA-UHFFFAOYSA-N
XLogP4.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-bromophenyl)-5-hexyl-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

Related Compounds

5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
4-(3-bromophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66199444
4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
CID 114752943
4-(2-bromophenyl)-5-octyl-1H-pyrazol-3-amine
CID 65428452
4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine
CID 43560970
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
CID 63525723
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
CID 90243397
4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine
CID 79096350
5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830117
2-(3-bromophenyl)-5-decylpyrimidine
CID 18934324
4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine
CID 43560980

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine (CID 114752922) is 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine is CCCCCCc1[nH]nc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine?
The InChIKey is UBQLJGOSGWYNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-2-3-4-5-9-13-14(15(17)19-18-13)11-7-6-8-12(16)10-11/h6-8,10H,2-5,9H2,1H3,(H3,17,18,19).
What are the key properties of 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine has a molecular weight of 322.25 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine is sourced from PubChem (CID 114752922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).