1-benzyl-N-octylpyrazol-4-amine

C18H27N3 — CID 63451849

IUPAC1-benzyl-N-octylpyrazol-4-amine
SMILESCCCCCCCCNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H27N3/c1-2-3-4-5-6-10-13-19-18-14-20-21(16-18)15-17-11-8-7-9-12-17/h7-9,11-12,14,16,19H,2-6,10,13,15H2,1H3
InChIKeyRKAXHVRUSPUPBD-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.70
Rot. Bonds10

About 1-benzyl-N-octylpyrazol-4-amine

1-benzyl-N-octylpyrazol-4-amine (PubChem CID 63451849) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-benzyl-N-octylpyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-octylpyrazol-4-amine
PubChem CID63451849
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-benzyl-N-octylpyrazol-4-amine
SMILESCCCCCCCCNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H27N3/c1-2-3-4-5-6-10-13-19-18-14-20-21(16-18)15-17-11-8-7-9-12-17/h7-9,11-12,14,16,19H,2-6,10,13,15H2,1H3
InChIKeyRKAXHVRUSPUPBD-UHFFFAOYSA-N
XLogP4.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
CID 43543523
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
1-benzyl-N-[(5-ethylfuran-2-yl)methyl]pyrazol-4-amine
CID 62345818
N-heptyl-3-(pyrazol-1-ylmethyl)aniline
CID 43738861

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-octylpyrazol-4-amine?
The IUPAC name of 1-benzyl-N-octylpyrazol-4-amine (CID 63451849) is 1-benzyl-N-octylpyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-octylpyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-octylpyrazol-4-amine is CCCCCCCCNc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-octylpyrazol-4-amine?
The InChIKey is RKAXHVRUSPUPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-3-4-5-6-10-13-19-18-14-20-21(16-18)15-17-11-8-7-9-12-17/h7-9,11-12,14,16,19H,2-6,10,13,15H2,1H3.
What are the key properties of 1-benzyl-N-octylpyrazol-4-amine?
1-benzyl-N-octylpyrazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-octylpyrazol-4-amine is sourced from PubChem (CID 63451849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).