2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol

C15H19BrN2O3 — CID 114635965

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2c(Br)cnn2C)cc1OC
InChIInChI=1S/C15H19BrN2O3/c1-15(19,14-11(16)9-17-18(14)2)8-10-5-6-12(20-3)13(7-10)21-4/h5-7,9,19H,8H2,1-4H3
InChIKeyFUNBRUOSMGUNQZ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol

2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol (PubChem CID 114635965) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol
PubChem CID114635965
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2c(Br)cnn2C)cc1OC
InChIInChI=1S/C15H19BrN2O3/c1-15(19,14-11(16)9-17-18(14)2)8-10-5-6-12(20-3)13(7-10)21-4/h5-7,9,19H,8H2,1-4H3
InChIKeyFUNBRUOSMGUNQZ-UHFFFAOYSA-N
XLogP2.65
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633949
2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633954
1-bromo-3-(3,4-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-ol
CID 107140181
[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203934
1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638169
2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048
2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
CID 114665935
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol
CID 114638271
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633955
ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
CID 18987060
4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol
CID 114636581

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol (CID 114635965) is 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol is COc1ccc(CC(C)(O)c2c(Br)cnn2C)cc1OC.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol?
The InChIKey is FUNBRUOSMGUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-15(19,14-11(16)9-17-18(14)2)8-10-5-6-12(20-3)13(7-10)21-4/h5-7,9,19H,8H2,1-4H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol?
2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol has a molecular weight of 355.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 114635965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).