1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol

C13H17N3O2 — CID 64974574

IUPAC1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNOCc1ccccc1)Cn1cccn1
InChIInChI=1S/C13H17N3O2/c17-13(10-16-8-4-7-14-16)9-15-18-11-12-5-2-1-3-6-12/h1-8,13,15,17H,9-11H2
InChIKeyMPWVOHYQSNTRPZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.97
Rot. Bonds7

About 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol

1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 64974574) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID64974574
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNOCc1ccccc1)Cn1cccn1
InChIInChI=1S/C13H17N3O2/c17-13(10-16-8-4-7-14-16)9-15-18-11-12-5-2-1-3-6-12/h1-8,13,15,17H,9-11H2
InChIKeyMPWVOHYQSNTRPZ-UHFFFAOYSA-N
XLogP0.97
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 82722523
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol
CID 175133057
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 60501287
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 55082435
(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 94174337
1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60901076
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
2-methyl-3-(phenylmethoxyamino)propanoic acid
CID 21019710
3,3-dimethyl-1-(phenylmethoxyamino)butan-2-ol
CID 130501755
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302

Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol (CID 64974574) is 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol is OC(CNOCc1ccccc1)Cn1cccn1.
What is the InChIKey of 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is MPWVOHYQSNTRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13(10-16-8-4-7-14-16)9-15-18-11-12-5-2-1-3-6-12/h1-8,13,15,17H,9-11H2.
What are the key properties of 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol?
1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 64974574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).