1-benzyl-N-heptylpyrazol-4-amine

C17H25N3 — CID 63451804

IUPAC1-benzyl-N-heptylpyrazol-4-amine
SMILESCCCCCCCNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H25N3/c1-2-3-4-5-9-12-18-17-13-19-20(15-17)14-16-10-7-6-8-11-16/h6-8,10-11,13,15,18H,2-5,9,12,14H2,1H3
InChIKeyDKXVCKMDLVMQFI-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.31
Rot. Bonds9

About 1-benzyl-N-heptylpyrazol-4-amine

1-benzyl-N-heptylpyrazol-4-amine (PubChem CID 63451804) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-benzyl-N-heptylpyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-heptylpyrazol-4-amine
PubChem CID63451804
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-benzyl-N-heptylpyrazol-4-amine
SMILESCCCCCCCNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H25N3/c1-2-3-4-5-9-12-18-17-13-19-20(15-17)14-16-10-7-6-8-11-16/h6-8,10-11,13,15,18H,2-5,9,12,14H2,1H3
InChIKeyDKXVCKMDLVMQFI-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.31
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-octylpyrazol-4-amine
CID 63451849
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-heptylpyrazol-4-amine?
The IUPAC name of 1-benzyl-N-heptylpyrazol-4-amine (CID 63451804) is 1-benzyl-N-heptylpyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-heptylpyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-heptylpyrazol-4-amine is CCCCCCCNc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-heptylpyrazol-4-amine?
The InChIKey is DKXVCKMDLVMQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-4-5-9-12-18-17-13-19-20(15-17)14-16-10-7-6-8-11-16/h6-8,10-11,13,15,18H,2-5,9,12,14H2,1H3.
What are the key properties of 1-benzyl-N-heptylpyrazol-4-amine?
1-benzyl-N-heptylpyrazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-heptylpyrazol-4-amine is sourced from PubChem (CID 63451804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).