2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol

C16H27BrN2O2 — CID 116754378

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCCc1nn(C)c(CC(O)C2(OC)CCC(C)CC2)c1Br
InChIInChI=1S/C16H27BrN2O2/c1-5-12-15(17)13(19(3)18-12)10-14(20)16(21-4)8-6-11(2)7-9-16/h11,14,20H,5-10H2,1-4H3
InChIKeyUGSHYMVMHNJXCM-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (PubChem CID 116754378) has the molecular formula C16H27BrN2O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
PubChem CID116754378
Molecular FormulaC16H27BrN2O2
Molecular Weight359.31 g/mol
Exact Mass358.13
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCCc1nn(C)c(CC(O)C2(OC)CCC(C)CC2)c1Br
InChIInChI=1S/C16H27BrN2O2/c1-5-12-15(17)13(19(3)18-12)10-14(20)16(21-4)8-6-11(2)7-9-16/h11,14,20H,5-10H2,1-4H3
InChIKeyUGSHYMVMHNJXCM-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451661
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754910
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 105270399
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276077
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxypentan-2-ol
CID 116710669
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
CID 115810644
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79055865
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 114119382
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753161
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 114545716

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (CID 116754378) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is CCc1nn(C)c(CC(O)C2(OC)CCC(C)CC2)c1Br.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The InChIKey is UGSHYMVMHNJXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2/c1-5-12-15(17)13(19(3)18-12)10-14(20)16(21-4)8-6-11(2)7-9-16/h11,14,20H,5-10H2,1-4H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol has a molecular weight of 359.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is sourced from PubChem (CID 116754378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).