(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol

C9H17N3O — CID 106932499

IUPAC(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
SMILESC[C@@H](O)CNCCCn1cccn1
InChIInChI=1S/C9H17N3O/c1-9(13)8-10-4-2-6-12-7-3-5-11-12/h3,5,7,9-10,13H,2,4,6,8H2,1H3/t9-/m1/s1
InChIKeyYTOILNLHJMYIHC-SECBINFHSA-N
MW183.26 g/mol
LogP0.24
Rot. Bonds6

About (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol

(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol (PubChem CID 106932499) has the molecular formula C9H17N3O and a molecular weight of 183.26 g/mol. Its IUPAC name is (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
PubChem CID106932499
Molecular FormulaC9H17N3O
Molecular Weight183.26 g/mol
Exact Mass183.14
IUPAC Name(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
SMILESC[C@@H](O)CNCCCn1cccn1
InChIInChI=1S/C9H17N3O/c1-9(13)8-10-4-2-6-12-7-3-5-11-12/h3,5,7,9-10,13H,2,4,6,8H2,1H3/t9-/m1/s1
InChIKeyYTOILNLHJMYIHC-SECBINFHSA-N
XLogP0.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 112684548
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 63932971
1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 115579730
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
1-(2-hydroxypentyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 111337992
1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
CID 114141939

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The IUPAC name of (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol (CID 106932499) is (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol is C[C@@H](O)CNCCCn1cccn1.
What is the InChIKey of (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The InChIKey is YTOILNLHJMYIHC-SECBINFHSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(13)8-10-4-2-6-12-7-3-5-11-12/h3,5,7,9-10,13H,2,4,6,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol?
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol has a molecular weight of 183.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol is sourced from PubChem (CID 106932499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).