1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol

C16H27BrN2O — CID 115810644

IUPAC1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
SMILESCCc1nn(C)c(CC(O)CC2CCCCCC2)c1Br
InChIInChI=1S/C16H27BrN2O/c1-3-14-16(17)15(19(2)18-14)11-13(20)10-12-8-6-4-5-7-9-12/h12-13,20H,3-11H2,1-2H3
InChIKeyYYIKMZVLQIFBNA-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol

1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol (PubChem CID 115810644) has the molecular formula C16H27BrN2O and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
PubChem CID115810644
Molecular FormulaC16H27BrN2O
Molecular Weight343.31 g/mol
Exact Mass342.13
IUPAC Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
SMILESCCc1nn(C)c(CC(O)CC2CCCCCC2)c1Br
InChIInChI=1S/C16H27BrN2O/c1-3-14-16(17)15(19(2)18-14)11-13(20)10-12-8-6-4-5-7-9-12/h12-13,20H,3-11H2,1-2H3
InChIKeyYYIKMZVLQIFBNA-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopentylpropan-2-ol
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1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
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[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
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1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol
CID 116660265
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
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2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
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1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxypentan-2-ol
CID 116710669
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol?
The IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol (CID 115810644) is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol is CCc1nn(C)c(CC(O)CC2CCCCCC2)c1Br.
What is the InChIKey of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol?
The InChIKey is YYIKMZVLQIFBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O/c1-3-14-16(17)15(19(2)18-14)11-13(20)10-12-8-6-4-5-7-9-12/h12-13,20H,3-11H2,1-2H3.
What are the key properties of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol?
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol has a molecular weight of 343.31 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol is sourced from PubChem (CID 115810644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).