(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol

C14H17BrN2O4 — CID 114634255

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2c(Br)cnn2C)c(OC)c1
InChIInChI=1S/C14H17BrN2O4/c1-17-13(9(15)7-16-17)14(18)12-10(20-3)5-8(19-2)6-11(12)21-4/h5-7,14,18H,1-4H3
InChIKeyWKPLWQCYXOOPDK-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.29
Rot. Bonds5

About (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol (PubChem CID 114634255) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
PubChem CID114634255
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2c(Br)cnn2C)c(OC)c1
InChIInChI=1S/C14H17BrN2O4/c1-17-13(9(15)7-16-17)14(18)12-10(20-3)5-8(19-2)6-11(12)21-4/h5-7,14,18H,1-4H3
InChIKeyWKPLWQCYXOOPDK-UHFFFAOYSA-N
XLogP2.29
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114684715
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
CID 105132487
(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
CID 105132514
(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
CID 107969950
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)propan-1-ol
CID 82758458
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 114645635

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol (CID 114634255) is (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)c2c(Br)cnn2C)c(OC)c1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol?
The InChIKey is WKPLWQCYXOOPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-17-13(9(15)7-16-17)14(18)12-10(20-3)5-8(19-2)6-11(12)21-4/h5-7,14,18H,1-4H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol has a molecular weight of 357.20 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol is sourced from PubChem (CID 114634255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).