1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol

C16H27ClN2O — CID 115813336

IUPAC1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol
SMILESCCn1nc(C)c(Cl)c1CC(O)CCC1CCCCC1
InChIInChI=1S/C16H27ClN2O/c1-3-19-15(16(17)12(2)18-19)11-14(20)10-9-13-7-5-4-6-8-13/h13-14,20H,3-11H2,1-2H3
InChIKeyPVTQQWKLZZCDFP-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.13
Rot. Bonds6

About 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol (PubChem CID 115813336) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol
PubChem CID115813336
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol
SMILESCCn1nc(C)c(Cl)c1CC(O)CCC1CCCCC1
InChIInChI=1S/C16H27ClN2O/c1-3-19-15(16(17)12(2)18-19)11-14(20)10-9-13-7-5-4-6-8-13/h13-14,20H,3-11H2,1-2H3
InChIKeyPVTQQWKLZZCDFP-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
CID 115813367
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-propoxybutan-2-ol
CID 105107429
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338910
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutanoic acid
CID 83139088
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150607
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 104998654
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
4-chloro-5-(2-chloro-5,5-dimethylhexyl)-1-ethyl-3-methylpyrazole
CID 114211848
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105317017
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595562
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056546

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol?
The IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol (CID 115813336) is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol.
What is the SMILES notation for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol?
The canonical SMILES for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol is CCn1nc(C)c(Cl)c1CC(O)CCC1CCCCC1.
What is the InChIKey of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol?
The InChIKey is PVTQQWKLZZCDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-3-19-15(16(17)12(2)18-19)11-14(20)10-9-13-7-5-4-6-8-13/h13-14,20H,3-11H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol?
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol has a molecular weight of 298.86 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol is sourced from PubChem (CID 115813336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).