1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol

C11H17N3O — CID 106229335

IUPAC1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol
SMILESC#CC(CC)NCC(O)Cn1cccn1
InChIInChI=1S/C11H17N3O/c1-3-10(4-2)12-8-11(15)9-14-7-5-6-13-14/h1,5-7,10-12,15H,4,8-9H2,2H3
InChIKeyCQXJRMWAWBNPBF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.25
Rot. Bonds6

About 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol

1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 106229335) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID106229335
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol
SMILESC#CC(CC)NCC(O)Cn1cccn1
InChIInChI=1S/C11H17N3O/c1-3-10(4-2)12-8-11(15)9-14-7-5-6-13-14/h1,5-7,10-12,15H,4,8-9H2,2H3
InChIKeyCQXJRMWAWBNPBF-UHFFFAOYSA-N
XLogP0.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
CID 61499693
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106221458
1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410027
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81347331
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81371484
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442

Frequently Asked Questions

What is the IUPAC name of 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol (CID 106229335) is 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol is C#CC(CC)NCC(O)Cn1cccn1.
What is the InChIKey of 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is CQXJRMWAWBNPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-10(4-2)12-8-11(15)9-14-7-5-6-13-14/h1,5-7,10-12,15H,4,8-9H2,2H3.
What are the key properties of 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol?
1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 207.28 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 106229335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).