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

C15H18N2O2 — CID 162677650

IUPAC2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
SMILESCc1cc(-c2ccnn2C2CCCCO2)ccc1O
InChIInChI=1S/C15H18N2O2/c1-11-10-12(5-6-14(11)18)13-7-8-16-17(13)15-4-2-3-9-19-15/h5-8,10,15,18H,2-4,9H2,1H3
InChIKeyFEEFAIRLYOUTPD-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.26
Rot. Bonds2

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

2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol (PubChem CID 162677650) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
PubChem CID162677650
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
SMILESCc1cc(-c2ccnn2C2CCCCO2)ccc1O
InChIInChI=1S/C15H18N2O2/c1-11-10-12(5-6-14(11)18)13-7-8-16-17(13)15-4-2-3-9-19-15/h5-8,10,15,18H,2-4,9H2,1H3
InChIKeyFEEFAIRLYOUTPD-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]benzaldehyde
CID 170984370
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
4-[2-(oxan-2-yl)pyrazol-3-yl]benzene-1,2-dicarbonitrile
CID 67172757
ethyl 4-[2-(oxan-2-yl)pyrazol-3-yl]benzoate
CID 135072205
2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 154925986
3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 170984356
1-[2-(methylideneamino)-4-[2-(oxan-2-yl)pyrazol-3-yl]phenyl]ethenol
CID 142517012
5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 131731838
2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
CID 142526925
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
CID 88950303
CID 88950303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol?
The IUPAC name of 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol (CID 162677650) is 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol.
What is the SMILES notation for 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol?
The canonical SMILES for 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol is Cc1cc(-c2ccnn2C2CCCCO2)ccc1O.
What is the InChIKey of 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol?
The InChIKey is FEEFAIRLYOUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-10-12(5-6-14(11)18)13-7-8-16-17(13)15-4-2-3-9-19-15/h5-8,10,15,18H,2-4,9H2,1H3.
What are the key properties of 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol?
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol has a molecular weight of 258.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol is sourced from PubChem (CID 162677650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).