(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol

C14H18N2O4 — CID 114634621

IUPAC(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cccc(C(O)c2c(OC)cnn2C)c1OC
InChIInChI=1S/C14H18N2O4/c1-16-12(11(19-3)8-15-16)13(17)9-6-5-7-10(18-2)14(9)20-4/h5-8,13,17H,1-4H3
InChIKeyVQKQQODUFJBBJT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.53
Rot. Bonds5

About (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol

(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol (PubChem CID 114634621) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
PubChem CID114634621
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cccc(C(O)c2c(OC)cnn2C)c1OC
InChIInChI=1S/C14H18N2O4/c1-16-12(11(19-3)8-15-16)13(17)9-6-5-7-10(18-2)14(9)20-4/h5-8,13,17H,1-4H3
InChIKeyVQKQQODUFJBBJT-UHFFFAOYSA-N
XLogP1.53
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
(2-methoxy-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 115836879
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644854
2,3-dihydro-1H-indol-7-yl-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114638224
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516
[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645117
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2870378
(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
CID 115836806
3-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]benzonitrile
CID 114637573
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 114635097

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol (CID 114634621) is (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol is COc1cccc(C(O)c2c(OC)cnn2C)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The InChIKey is VQKQQODUFJBBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16-12(11(19-3)8-15-16)13(17)9-6-5-7-10(18-2)14(9)20-4/h5-8,13,17H,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol?
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol has a molecular weight of 278.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).