3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine

C16H23N3 — CID 62717965

IUPAC3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H23N3/c1-2-10-17-11-6-9-16-12-18-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,17H,2,6,9-11,13H2,1H3
InChIKeyXJLKFGDWTQQCLN-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.86
Rot. Bonds8

About 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine

3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 62717965) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID62717965
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H23N3/c1-2-10-17-11-6-9-16-12-18-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,17H,2,6,9-11,13H2,1H3
InChIKeyXJLKFGDWTQQCLN-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.86
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

3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802
N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63278795
3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 63276731
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 63276788
N-[(1-benzylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037268
3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 63276635
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 86776302

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine (CID 62717965) is 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNCCCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is XJLKFGDWTQQCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-10-17-11-6-9-16-12-18-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,17H,2,6,9-11,13H2,1H3.
What are the key properties of 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine?
3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62717965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).