1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol

C16H21BrN2O2 — CID 105128554

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
SMILESCOCCn1ncc(Br)c1C(O)CCc1ccccc1C
InChIInChI=1S/C16H21BrN2O2/c1-12-5-3-4-6-13(12)7-8-15(20)16-14(17)11-18-19(16)9-10-21-2/h3-6,11,15,20H,7-10H2,1-2H3
InChIKeyMIQCVRPYKANOJK-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.27
Rot. Bonds7

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol (PubChem CID 105128554) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
PubChem CID105128554
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
SMILESCOCCn1ncc(Br)c1C(O)CCc1ccccc1C
InChIInChI=1S/C16H21BrN2O2/c1-12-5-3-4-6-13(12)7-8-15(20)16-14(17)11-18-19(16)9-10-21-2/h3-6,11,15,20H,7-10H2,1-2H3
InChIKeyMIQCVRPYKANOJK-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105128010
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,5-dimethylphenyl)ethanol
CID 115835849
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxybutan-1-ol
CID 105128583
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027706
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
CID 115835756
1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128026
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(4-methylphenyl)propan-1-ol
CID 105132635
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
CID 105043065
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol (CID 105128554) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol is COCCn1ncc(Br)c1C(O)CCc1ccccc1C.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol?
The InChIKey is MIQCVRPYKANOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-12-5-3-4-6-13(12)7-8-15(20)16-14(17)11-18-19(16)9-10-21-2/h3-6,11,15,20H,7-10H2,1-2H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol has a molecular weight of 353.26 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105128554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).