1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol

C15H21N3O — CID 62770090

IUPAC1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H21N3O/c1-2-8-16-10-15(19)12-18-11-14(9-17-18)13-6-4-3-5-7-13/h3-7,9,11,15-16,19H,2,8,10,12H2,1H3
InChIKeySDWVLDVZJGIJIA-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds7

About 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol

1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol (PubChem CID 62770090) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol
PubChem CID62770090
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H21N3O/c1-2-8-16-10-15(19)12-18-11-14(9-17-18)13-6-4-3-5-7-13/h3-7,9,11,15-16,19H,2,8,10,12H2,1H3
InChIKeySDWVLDVZJGIJIA-UHFFFAOYSA-N
XLogP1.91
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.91
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

5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
CID 62771348
2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine
CID 79620196
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
4-(4-phenylpyrazol-1-yl)-2-(propylamino)butanoic acid
CID 63040336
methyl 2-(ethylamino)-3-(4-phenylpyrazol-1-yl)propanoate
CID 62771523
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411582
1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
CID 61036530
N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide
CID 76948882
4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
CID 62770469
1-[(2-fluorophenyl)methoxy]-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411586
N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
CID 118524294

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol (CID 62770090) is 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol is CCCNCC(O)Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol?
The InChIKey is SDWVLDVZJGIJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-8-16-10-15(19)12-18-11-14(9-17-18)13-6-4-3-5-7-13/h3-7,9,11,15-16,19H,2,8,10,12H2,1H3.
What are the key properties of 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol?
1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 62770090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).