2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol

C16H20N2O2 — CID 166638783

IUPAC2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol
SMILESOCCc1ccccc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C16H20N2O2/c19-9-8-13-5-1-2-6-15(13)14-11-17-18(12-14)16-7-3-4-10-20-16/h1-2,5-6,11-12,16,19H,3-4,7-10H2
InChIKeyIITVBAFQSVTLAW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds4

About 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol

2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol (PubChem CID 166638783) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol
PubChem CID166638783
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol
SMILESOCCc1ccccc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C16H20N2O2/c19-9-8-13-5-1-2-6-15(13)14-11-17-18(12-14)16-7-3-4-10-20-16/h1-2,5-6,11-12,16,19H,3-4,7-10H2
InChIKeyIITVBAFQSVTLAW-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol
CID 166243854
3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 142796783
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
4-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-6-ol
CID 175708982
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 165117179
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
4-[2,3-difluoro-4-(4-methylidenecyclohexyl)phenyl]-1-(oxan-2-yl)pyrazole
CID 176914517
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
CID 169094860
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol?
The IUPAC name of 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol (CID 166638783) is 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol is OCCc1ccccc1-c1cnn(C2CCCCO2)c1.
What is the InChIKey of 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol?
The InChIKey is IITVBAFQSVTLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-9-8-13-5-1-2-6-15(13)14-11-17-18(12-14)16-7-3-4-10-20-16/h1-2,5-6,11-12,16,19H,3-4,7-10H2.
What are the key properties of 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol?
2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 166638783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).