4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol

C11H19N3O2 — CID 115977930

IUPAC4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol
SMILESCC(CCn1cccn1)NC1COCC1O
InChIInChI=1S/C11H19N3O2/c1-9(3-6-14-5-2-4-12-14)13-10-7-16-8-11(10)15/h2,4-5,9-11,13,15H,3,6-8H2,1H3
InChIKeyMJHSUZLBSOLBGU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.01
Rot. Bonds5

About 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol

4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol (PubChem CID 115977930) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol
PubChem CID115977930
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol
SMILESCC(CCn1cccn1)NC1COCC1O
InChIInChI=1S/C11H19N3O2/c1-9(3-6-14-5-2-4-12-14)13-10-7-16-8-11(10)15/h2,4-5,9-11,13,15H,3,6-8H2,1H3
InChIKeyMJHSUZLBSOLBGU-UHFFFAOYSA-N
XLogP0.01
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol
CID 110013412
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 115977842
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977534
5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one
CID 75518196
N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
CID 46991989
2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
CID 110012210
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
tert-butyl (3S,4R)-3-hydroxy-4-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 124874421
1-(4-imidazol-1-ylphenyl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95046077

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol?
The IUPAC name of 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol (CID 115977930) is 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol.
What is the SMILES notation for 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol?
The canonical SMILES for 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol is CC(CCn1cccn1)NC1COCC1O.
What is the InChIKey of 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol?
The InChIKey is MJHSUZLBSOLBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(3-6-14-5-2-4-12-14)13-10-7-16-8-11(10)15/h2,4-5,9-11,13,15H,3,6-8H2,1H3.
What are the key properties of 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol?
4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol has a molecular weight of 225.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol is sourced from PubChem (CID 115977930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).