5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol

C17H25N3O — CID 107303026

IUPAC5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCc1nn(-c2ccccc2)c(C)c1CNCCCCCO
InChIInChI=1S/C17H25N3O/c1-14-17(13-18-11-7-4-8-12-21)15(2)20(19-14)16-9-5-3-6-10-16/h3,5-6,9-10,18,21H,4,7-8,11-13H2,1-2H3
InChIKeyZYPXRBHPNJZBEQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.74
Rot. Bonds8

About 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol

5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 107303026) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID107303026
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCc1nn(-c2ccccc2)c(C)c1CNCCCCCO
InChIInChI=1S/C17H25N3O/c1-14-17(13-18-11-7-4-8-12-21)15(2)20(19-14)16-9-5-3-6-10-16/h3,5-6,9-10,18,21H,4,7-8,11-13H2,1-2H3
InChIKeyZYPXRBHPNJZBEQ-UHFFFAOYSA-N
XLogP2.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.74
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

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
CID 43406597
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639387
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
N-[(3-methyl-1-phenyl-5-propylpyrazol-4-yl)methyl]butan-1-amine
CID 20721175
1-cyclopropyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 63294865
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 19324828
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 115592625
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol (CID 107303026) is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol is Cc1nn(-c2ccccc2)c(C)c1CNCCCCCO.
What is the InChIKey of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is ZYPXRBHPNJZBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-17(13-18-11-7-4-8-12-21)15(2)20(19-14)16-9-5-3-6-10-16/h3,5-6,9-10,18,21H,4,7-8,11-13H2,1-2H3.
What are the key properties of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol?
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107303026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).