1-(2-pyrazol-1-ylethylamino)propan-2-ol

C8H15N3O — CID 61463069

IUPAC1-(2-pyrazol-1-ylethylamino)propan-2-ol
SMILESCC(O)CNCCn1cccn1
InChIInChI=1S/C8H15N3O/c1-8(12)7-9-4-6-11-5-2-3-10-11/h2-3,5,8-9,12H,4,6-7H2,1H3
InChIKeyYSBQORGLJDIXDG-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.15
Rot. Bonds5

About 1-(2-pyrazol-1-ylethylamino)propan-2-ol

1-(2-pyrazol-1-ylethylamino)propan-2-ol (PubChem CID 61463069) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethylamino)propan-2-ol
PubChem CID61463069
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(2-pyrazol-1-ylethylamino)propan-2-ol
SMILESCC(O)CNCCn1cccn1
InChIInChI=1S/C8H15N3O/c1-8(12)7-9-4-6-11-5-2-3-10-11/h2-3,5,8-9,12H,4,6-7H2,1H3
InChIKeyYSBQORGLJDIXDG-UHFFFAOYSA-N
XLogP-0.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.15
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

(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 63932971
1-cyclopropyl-2-(2-pyrazol-1-ylethylamino)ethanol
CID 63299027
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
CID 56828866
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56780909
1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 61462656
2-chloro-4,4-dimethyl-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107155778
1-(2-butoxyethoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462857
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethylamino)propan-2-ol?
The IUPAC name of 1-(2-pyrazol-1-ylethylamino)propan-2-ol (CID 61463069) is 1-(2-pyrazol-1-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-pyrazol-1-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(2-pyrazol-1-ylethylamino)propan-2-ol is CC(O)CNCCn1cccn1.
What is the InChIKey of 1-(2-pyrazol-1-ylethylamino)propan-2-ol?
The InChIKey is YSBQORGLJDIXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(12)7-9-4-6-11-5-2-3-10-11/h2-3,5,8-9,12H,4,6-7H2,1H3.
What are the key properties of 1-(2-pyrazol-1-ylethylamino)propan-2-ol?
1-(2-pyrazol-1-ylethylamino)propan-2-ol has a molecular weight of 169.23 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethylamino)propan-2-ol is sourced from PubChem (CID 61463069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).