4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine

C15H20BrN3 — CID 114752943

IUPAC4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
SMILESCCCCCCc1[nH]nc(N)c1-c1ccccc1Br
InChIInChI=1S/C15H20BrN3/c1-2-3-4-5-10-13-14(15(17)19-18-13)11-8-6-7-9-12(11)16/h6-9H,2-5,10H2,1H3,(H3,17,18,19)
InChIKeyLPWUMCHGYJOPJB-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.54
Rot. Bonds6

About 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine

4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine (PubChem CID 114752943) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
PubChem CID114752943
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
SMILESCCCCCCc1[nH]nc(N)c1-c1ccccc1Br
InChIInChI=1S/C15H20BrN3/c1-2-3-4-5-10-13-14(15(17)19-18-13)11-8-6-7-9-12(11)16/h6-9H,2-5,10H2,1H3,(H3,17,18,19)
InChIKeyLPWUMCHGYJOPJB-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'}

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Related Compounds

4-(2-bromophenyl)-5-octyl-1H-pyrazol-3-amine
CID 65428452
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
CID 63525723
4-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
CID 114752922
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556830
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539
5-pentyl-4-propyl-1H-pyrazol-3-amine
CID 79405601
4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519711
4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118857
3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61276916
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 62829643

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine (CID 114752943) is 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine is CCCCCCc1[nH]nc(N)c1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine?
The InChIKey is LPWUMCHGYJOPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-2-3-4-5-10-13-14(15(17)19-18-13)11-8-6-7-9-12(11)16/h6-9H,2-5,10H2,1H3,(H3,17,18,19).
What are the key properties of 4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine?
4-(2-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-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine is sourced from PubChem (CID 114752943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).