1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol

C13H17N3O — CID 82539768

IUPAC1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H17N3O/c1-11(17)7-14-13-8-15-16(10-13)9-12-5-3-2-4-6-12/h2-6,8,10-11,14,17H,7,9H2,1H3
InChIKeyULTAYCQVGLCEDL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.72
Rot. Bonds5

About 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol

1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol (PubChem CID 82539768) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
PubChem CID82539768
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H17N3O/c1-11(17)7-14-13-8-15-16(10-13)9-12-5-3-2-4-6-12/h2-6,8,10-11,14,17H,7,9H2,1H3
InChIKeyULTAYCQVGLCEDL-UHFFFAOYSA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111521189
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol (CID 82539768) is 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol is CC(O)CNc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol?
The InChIKey is ULTAYCQVGLCEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(17)7-14-13-8-15-16(10-13)9-12-5-3-2-4-6-12/h2-6,8,10-11,14,17H,7,9H2,1H3.
What are the key properties of 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol?
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol is sourced from PubChem (CID 82539768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).