3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol

C15H19BrN2O2 — CID 116756796

IUPAC3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1c(Br)c(C)nn1C
InChIInChI=1S/C15H19BrN2O2/c1-10-14(16)12(18(2)17-10)9-13(19)15(20-3)11-7-5-4-6-8-11/h4-8,13,15,19H,9H2,1-3H3
InChIKeyFRVDBYHMZGJONU-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.78
Rot. Bonds5

About 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol

3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol (PubChem CID 116756796) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol
PubChem CID116756796
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1c(Br)c(C)nn1C
InChIInChI=1S/C15H19BrN2O2/c1-10-14(16)12(18(2)17-10)9-13(19)15(20-3)11-7-5-4-6-8-11/h4-8,13,15,19H,9H2,1-3H3
InChIKeyFRVDBYHMZGJONU-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(3-chloro-2-methyl-3-phenylpropyl)-1,3-dimethylpyrazole
CID 104846442
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
CID 103457086
(1R)-1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-phenylpropan-2-one
CID 104891130
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol
CID 79438618
4-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-phenylbutanoic acid
CID 81007945
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 105000224
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465737
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(2-methylphenyl)butan-2-ol
CID 105108296
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-iodophenyl)ethanamine
CID 105000226
4-amino-1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-4-phenylbutan-2-one
CID 116598997

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol (CID 116756796) is 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol is COC(c1ccccc1)C(O)Cc1c(Br)c(C)nn1C.
What is the InChIKey of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol?
The InChIKey is FRVDBYHMZGJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-14(16)12(18(2)17-10)9-13(19)15(20-3)11-7-5-4-6-8-11/h4-8,13,15,19H,9H2,1-3H3.
What are the key properties of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol?
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol has a molecular weight of 339.23 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 116756796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).