3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol

C12H17N3O2 — CID 113374651

IUPAC3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol
SMILESCCc1nn(C)cc1-c1cc(CCCO)on1
InChIInChI=1S/C12H17N3O2/c1-3-11-10(8-15(2)13-11)12-7-9(17-14-12)5-4-6-16/h7-8,16H,3-6H2,1-2H3
InChIKeyYNJZHBMRSHIBGV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.56
Rot. Bonds5

About 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol

3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 113374651) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol
PubChem CID113374651
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol
SMILESCCc1nn(C)cc1-c1cc(CCCO)on1
InChIInChI=1S/C12H17N3O2/c1-3-11-10(8-15(2)13-11)12-7-9(17-14-12)5-4-6-16/h7-8,16H,3-6H2,1-2H3
InChIKeyYNJZHBMRSHIBGV-UHFFFAOYSA-N
XLogP1.56
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642485
[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanamine
CID 112671322
3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 114058125
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 102811182
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol
CID 105379609
3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374656
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 112671315
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
3-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 102810804
5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167864904

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol (CID 113374651) is 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol is CCc1nn(C)cc1-c1cc(CCCO)on1.
What is the InChIKey of 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is YNJZHBMRSHIBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-11-10(8-15(2)13-11)12-7-9(17-14-12)5-4-6-16/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol?
3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 113374651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).