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

C16H23N3 — CID 114752939

IUPAC5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCCCCCCc1[nH]nc(N)c1-c1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-3-4-5-6-10-14-15(16(17)19-18-14)13-9-7-8-12(2)11-13/h7-9,11H,3-6,10H2,1-2H3,(H3,17,18,19)
InChIKeyBFEMFOCODSPFNX-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.09
Rot. Bonds6

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

5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 114752939) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID114752939
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCCCCCCc1[nH]nc(N)c1-c1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-3-4-5-6-10-14-15(16(17)19-18-14)13-9-7-8-12(2)11-13/h7-9,11H,3-6,10H2,1-2H3,(H3,17,18,19)
InChIKeyBFEMFOCODSPFNX-UHFFFAOYSA-N
XLogP4.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.09
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-(3-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
CID 114752922
5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830117
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
CID 63525723
4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
CID 114752943
4-(2-bromophenyl)-5-octyl-1H-pyrazol-3-amine
CID 65428452
5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114458043
5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62829064
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine
CID 63078890
5-(5-methylfuran-3-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114821095
5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830116

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine (CID 114752939) is 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine is CCCCCCc1[nH]nc(N)c1-c1cccc(C)c1.
What is the InChIKey of 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is BFEMFOCODSPFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-5-6-10-14-15(16(17)19-18-14)13-9-7-8-12(2)11-13/h7-9,11H,3-6,10H2,1-2H3,(H3,17,18,19).
What are the key properties of 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine?
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 257.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114752939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).