2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol

C13H19BrN4O — CID 105105694

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCCc1nn(C)c(CC(O)c2cc(C)nn2C)c1Br
InChIInChI=1S/C13H19BrN4O/c1-5-9-13(14)11(18(4)16-9)7-12(19)10-6-8(2)15-17(10)3/h6,12,19H,5,7H2,1-4H3
InChIKeyOVRQGXWIHYLIGM-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.06
Rot. Bonds4

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 105105694) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
PubChem CID105105694
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCCc1nn(C)c(CC(O)c2cc(C)nn2C)c1Br
InChIInChI=1S/C13H19BrN4O/c1-5-9-13(14)11(18(4)16-9)7-12(19)10-6-8(2)15-17(10)3/h6,12,19H,5,7H2,1-4H3
InChIKeyOVRQGXWIHYLIGM-UHFFFAOYSA-N
XLogP2.06
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105105696
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CID 106695456
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105105690
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethanol
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2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103386
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572568
(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702766
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2,3-dimethylbutanoic acid
CID 81009375
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxypentan-2-ol
CID 116710669
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348055
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (CID 105105694) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is CCc1nn(C)c(CC(O)c2cc(C)nn2C)c1Br.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is OVRQGXWIHYLIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-5-9-13(14)11(18(4)16-9)7-12(19)10-6-8(2)15-17(10)3/h6,12,19H,5,7H2,1-4H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 327.23 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105105694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).