[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol

C17H22N2O2 — CID 172876873

IUPAC[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
SMILESCc1cc(-c2cnn(C3CCOCC3)c2)cc(C)c1CO
InChIInChI=1S/C17H22N2O2/c1-12-7-14(8-13(2)17(12)11-20)15-9-18-19(10-15)16-3-5-21-6-4-16/h7-10,16,20H,3-6,11H2,1-2H3
InChIKeyLBFHJMAMIXOVOS-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.01
Rot. Bonds3

About [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol

[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol (PubChem CID 172876873) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
PubChem CID172876873
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
SMILESCc1cc(-c2cnn(C3CCOCC3)c2)cc(C)c1CO
InChIInChI=1S/C17H22N2O2/c1-12-7-14(8-13(2)17(12)11-20)15-9-18-19(10-15)16-3-5-21-6-4-16/h7-10,16,20H,3-6,11H2,1-2H3
InChIKeyLBFHJMAMIXOVOS-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
CID 171921837
3-bromo-5-[1-(oxan-4-yl)pyrazol-4-yl]benzonitrile
CID 172990882
[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
CID 172876876
3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 166093962
ethyl 5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indole-2-carboxylate
CID 175663731
1-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674967
3-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)benzonitrile
CID 172990004
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
3-(difluoromethoxy)-5-[1-(oxan-4-yl)pyrazol-4-yl]benzoic acid
CID 171382876
3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 175581630
4-(1-cyclopentylpyrazol-4-yl)-2-fluoro-6-methylbenzoic acid
CID 171365273
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol?
The IUPAC name of [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol (CID 172876873) is [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol.
What is the SMILES notation for [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol?
The canonical SMILES for [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol is Cc1cc(-c2cnn(C3CCOCC3)c2)cc(C)c1CO.
What is the InChIKey of [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol?
The InChIKey is LBFHJMAMIXOVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-7-14(8-13(2)17(12)11-20)15-9-18-19(10-15)16-3-5-21-6-4-16/h7-10,16,20H,3-6,11H2,1-2H3.
What are the key properties of [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol?
[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol has a molecular weight of 286.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol is sourced from PubChem (CID 172876873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).