(3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol

C13H23N3O2 — CID 91842278

IUPAC(3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol
SMILESCCN(CCn1nc(C)cc1C)[C@H]1COC[C@@H]1O
InChIInChI=1S/C13H23N3O2/c1-4-15(12-8-18-9-13(12)17)5-6-16-11(3)7-10(2)14-16/h7,12-13,17H,4-6,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyRWIPGVJFSREZJK-STQMWFEESA-N
MW253.35 g/mol
LogP0.58
Rot. Bonds5

About (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol

(3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol (PubChem CID 91842278) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol
PubChem CID91842278
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol
SMILESCCN(CCn1nc(C)cc1C)[C@H]1COC[C@@H]1O
InChIInChI=1S/C13H23N3O2/c1-4-15(12-8-18-9-13(12)17)5-6-16-11(3)7-10(2)14-16/h7,12-13,17H,4-6,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyRWIPGVJFSREZJK-STQMWFEESA-N
XLogP0.58
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl-ethylamino]oxolan-3-ol
CID 133131035
(3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol
CID 91830201
1-ethyl-3,5-dimethylpyrazole
CID 565993
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97280494
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 50956229
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
CID 119060682
6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1,4-oxazepan-6-ol
CID 70778236
N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
CID 55028122
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethanol
CID 12074287

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol (CID 91842278) is (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol is CCN(CCn1nc(C)cc1C)[C@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol?
The InChIKey is RWIPGVJFSREZJK-STQMWFEESA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-15(12-8-18-9-13(12)17)5-6-16-11(3)7-10(2)14-16/h7,12-13,17H,4-6,8-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol?
(3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol has a molecular weight of 253.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol is sourced from PubChem (CID 91842278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).