[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol

C14H18N2O2 — CID 28933161

IUPAC[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cnn(C)c1
InChIInChI=1S/C14H18N2O2/c1-10-4-12(8-17)5-11(2)14(10)18-9-13-6-15-16(3)7-13/h4-7,17H,8-9H2,1-3H3
InChIKeyJQTZCFGSIBLXNO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.11
Rot. Bonds4

About [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol

[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol (PubChem CID 28933161) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
PubChem CID28933161
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cnn(C)c1
InChIInChI=1S/C14H18N2O2/c1-10-4-12(8-17)5-11(2)14(10)18-9-13-6-15-16(3)7-13/h4-7,17H,8-9H2,1-3H3
InChIKeyJQTZCFGSIBLXNO-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 62127449
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782929
3-methyl-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 54929892
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105404106
O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
CID 79423032
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999366
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 66155308
1-[3,5-dibromo-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741879

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol (CID 28933161) is [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol is Cc1cc(CO)cc(C)c1OCc1cnn(C)c1.
What is the InChIKey of [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is JQTZCFGSIBLXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-4-12(8-17)5-11(2)14(10)18-9-13-6-15-16(3)7-13/h4-7,17H,8-9H2,1-3H3.
What are the key properties of [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 28933161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).