1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol

C11H17N3O — CID 106221458

IUPAC1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
SMILESC#CCCCNCC(O)Cn1cccn1
InChIInChI=1S/C11H17N3O/c1-2-3-4-6-12-9-11(15)10-14-8-5-7-13-14/h1,5,7-8,11-12,15H,3-4,6,9-10H2
InChIKeySTLJZBQZXOLFRO-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.25
Rot. Bonds7

About 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol

1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 106221458) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID106221458
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
SMILESC#CCCCNCC(O)Cn1cccn1
InChIInChI=1S/C11H17N3O/c1-2-3-4-6-12-9-11(15)10-14-8-5-7-13-14/h1,5,7-8,11-12,15H,3-4,6,9-10H2
InChIKeySTLJZBQZXOLFRO-UHFFFAOYSA-N
XLogP0.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 106221253
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299
1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106229335
1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60980033
1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60901076
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
N-cyclopropyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 54938305
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710

Frequently Asked Questions

What is the IUPAC name of 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol (CID 106221458) is 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol is C#CCCCNCC(O)Cn1cccn1.
What is the InChIKey of 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is STLJZBQZXOLFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-4-6-12-9-11(15)10-14-8-5-7-13-14/h1,5,7-8,11-12,15H,3-4,6,9-10H2.
What are the key properties of 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol?
1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 207.28 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 106221458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).