4-[2-(oxan-2-yl)pyrazol-3-yl]phenol

C14H16N2O2 — CID 162677649

IUPAC4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
SMILESOc1ccc(-c2ccnn2C2CCCCO2)cc1
InChIInChI=1S/C14H16N2O2/c17-12-6-4-11(5-7-12)13-8-9-15-16(13)14-3-1-2-10-18-14/h4-9,14,17H,1-3,10H2
InChIKeyWPUHYAKHGCKMHD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.95
Rot. Bonds2

About 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol

4-[2-(oxan-2-yl)pyrazol-3-yl]phenol (PubChem CID 162677649) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
PubChem CID162677649
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
SMILESOc1ccc(-c2ccnn2C2CCCCO2)cc1
InChIInChI=1S/C14H16N2O2/c17-12-6-4-11(5-7-12)13-8-9-15-16(13)14-3-1-2-10-18-14/h4-9,14,17H,1-3,10H2
InChIKeyWPUHYAKHGCKMHD-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677650
ethyl 4-[2-(oxan-2-yl)pyrazol-3-yl]benzoate
CID 135072205
4-[2-(oxan-2-yl)pyrazol-3-yl]benzene-1,2-dicarbonitrile
CID 67172757
3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 170984356
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]benzaldehyde
CID 170984370
5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 131731838
1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol
CID 142517012
2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 154925986
CID 88950303
CID 88950303
tert-butyl (2S)-2-[4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]piperidine-1-carboxylate
CID 167033721
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
(E)-3-[5-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]prop-2-enal
CID 134511087

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol?
The IUPAC name of 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol (CID 162677649) is 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol.
What is the SMILES notation for 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol?
The canonical SMILES for 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol is Oc1ccc(-c2ccnn2C2CCCCO2)cc1.
What is the InChIKey of 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol?
The InChIKey is WPUHYAKHGCKMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-12-6-4-11(5-7-12)13-8-9-15-16(13)14-3-1-2-10-18-14/h4-9,14,17H,1-3,10H2.
What are the key properties of 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol?
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol has a molecular weight of 244.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-2-yl)pyrazol-3-yl]phenol is sourced from PubChem (CID 162677649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).