(2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol

C17H22N2O2 — CID 107332265

IUPAC(2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2ccnn2-c2ccccc2)C1C
InChIInChI=1S/C17H22N2O2/c1-11-12(2)21-13(3)16(11)17(20)15-9-10-18-19(15)14-7-5-4-6-8-14/h4-13,16-17,20H,1-3H3
InChIKeyPZOMYZQCAOPDLJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.97
Rot. Bonds3

About (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol

(2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 107332265) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID107332265
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2ccnn2-c2ccccc2)C1C
InChIInChI=1S/C17H22N2O2/c1-11-12(2)21-13(3)16(11)17(20)15-9-10-18-19(15)14-7-5-4-6-8-14/h4-13,16-17,20H,1-3H3
InChIKeyPZOMYZQCAOPDLJ-UHFFFAOYSA-N
XLogP2.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylcyclopropyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330350
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
CID 107332340
4-[bromo-(2,4,5-trimethyloxolan-3-yl)methyl]-1-phenylpyrazole
CID 65157974
2-(dimethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330353
naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157994
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107329830
2-chloro-2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330397
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329

Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 107332265) is (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2ccnn2-c2ccccc2)C1C.
What is the InChIKey of (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is PZOMYZQCAOPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-12(2)21-13(3)16(11)17(20)15-9-10-18-19(15)14-7-5-4-6-8-14/h4-13,16-17,20H,1-3H3.
What are the key properties of (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 286.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrazol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 107332265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).