1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol

C14H23BrN2O2 — CID 103451661

IUPAC1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
SMILESCCc1nn(C)c(CC(O)C2(O)CCCCC2)c1Br
InChIInChI=1S/C14H23BrN2O2/c1-3-10-13(15)11(17(2)16-10)9-12(18)14(19)7-5-4-6-8-14/h12,18-19H,3-9H2,1-2H3
InChIKeyTZXDNJSDICUQEN-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol

1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol (PubChem CID 103451661) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
PubChem CID103451661
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
SMILESCCc1nn(C)c(CC(O)C2(O)CCCCC2)c1Br
InChIInChI=1S/C14H23BrN2O2/c1-3-10-13(15)11(17(2)16-10)9-12(18)14(19)7-5-4-6-8-14/h12,18-19H,3-9H2,1-2H3
InChIKeyTZXDNJSDICUQEN-UHFFFAOYSA-N
XLogP2.34
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448231
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106830227
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754378
1-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451929
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450367
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
CID 115810644
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79055865
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756067
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276077
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753161
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxypentan-2-ol
CID 116710669
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066422

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol (CID 103451661) is 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol is CCc1nn(C)c(CC(O)C2(O)CCCCC2)c1Br.
What is the InChIKey of 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The InChIKey is TZXDNJSDICUQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-3-10-13(15)11(17(2)16-10)9-12(18)14(19)7-5-4-6-8-14/h12,18-19H,3-9H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol?
1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol has a molecular weight of 331.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol is sourced from PubChem (CID 103451661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).