2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol

C14H16N2O2 — CID 107329996

IUPAC2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol
SMILESCC1OCCC1(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-11-14(17,8-10-18-11)13-7-9-15-16(13)12-5-3-2-4-6-12/h2-7,9,11,17H,8,10H2,1H3
InChIKeyKIQXOBBJAPTZKA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol

2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol (PubChem CID 107329996) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol
PubChem CID107329996
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol
SMILESCC1OCCC1(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-11-14(17,8-10-18-11)13-7-9-15-16(13)12-5-3-2-4-6-12/h2-7,9,11,17H,8,10H2,1H3
InChIKeyKIQXOBBJAPTZKA-UHFFFAOYSA-N
XLogP1.87
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylpyrazol-3-yl)cyclobutan-1-ol
CID 107329942
1-methyl-4-(2-phenylpyrazol-3-yl)piperidin-4-ol
CID 107329806
4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
CID 107331436
3-(furan-3-yl)-2-methyloxolan-3-ol
CID 82719090
2-methyl-2-(2-phenylpyrazol-3-yl)azepane
CID 107330736
(2-methylcyclopropyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330350
1-[hydroxy-(2-phenylpyrazol-3-yl)methyl]cyclopentan-1-ol
CID 107330437
3-(4-tert-butylphenyl)-2-methyloxolan-3-ol
CID 82717330
1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 107330715
2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107332163
(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 119056813
2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol
CID 82717569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol?
The IUPAC name of 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol (CID 107329996) is 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol?
The canonical SMILES for 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol is CC1OCCC1(O)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol?
The InChIKey is KIQXOBBJAPTZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11-14(17,8-10-18-11)13-7-9-15-16(13)12-5-3-2-4-6-12/h2-7,9,11,17H,8,10H2,1H3.
What are the key properties of 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol?
2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol has a molecular weight of 244.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol is sourced from PubChem (CID 107329996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).