6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol

C16H23N3O — CID 103924243

IUPAC6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H23N3O/c20-13-4-2-1-3-10-17-14-15-6-8-16(9-7-15)19-12-5-11-18-19/h5-9,11-12,17,20H,1-4,10,13-14H2
InChIKeyOHBONAGIXJXHEL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds9

About 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol

6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol (PubChem CID 103924243) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
PubChem CID103924243
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H23N3O/c20-13-4-2-1-3-10-17-14-15-6-8-16(9-7-15)19-12-5-11-18-19/h5-9,11-12,17,20H,1-4,10,13-14H2
InChIKeyOHBONAGIXJXHEL-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 115573877
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
2,2-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylamino]butanoic acid
CID 122126715
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
2-butoxy-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61170676
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
CID 62635762
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
CID 111104760
N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777

Frequently Asked Questions

What is the IUPAC name of 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol (CID 103924243) is 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol is OCCCCCCNCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol?
The InChIKey is OHBONAGIXJXHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-13-4-2-1-3-10-17-14-15-6-8-16(9-7-15)19-12-5-11-18-19/h5-9,11-12,17,20H,1-4,10,13-14H2.
What are the key properties of 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol?
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol is sourced from PubChem (CID 103924243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).