1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol

C14H23BrN2O — CID 114636081

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2c(Br)cnn2C(C)C)C1
InChIInChI=1S/C14H23BrN2O/c1-9(2)17-13(12(15)8-16-17)14(18)7-10(3)5-6-11(14)4/h8-11,18H,5-7H2,1-4H3
InChIKeyHEBVINWDJMTWPI-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.87
Rot. Bonds2

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol (PubChem CID 114636081) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
PubChem CID114636081
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2c(Br)cnn2C(C)C)C1
InChIInChI=1S/C14H23BrN2O/c1-9(2)17-13(12(15)8-16-17)14(18)7-10(3)5-6-11(14)4/h8-11,18H,5-7H2,1-4H3
InChIKeyHEBVINWDJMTWPI-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3,3,5-trimethylcyclohexan-1-ol
CID 114633147
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 114637837
3-(4-bromo-1-propan-2-ylpyrazol-5-yl)thietan-3-ol
CID 131123184
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-ethylcyclohexan-1-ol
CID 114635903
4-bromo-5-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]-1-propan-2-ylpyrazole
CID 125427160
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-ethylcycloheptan-1-ol
CID 114636272
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 114633160
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639673
1-(4-methoxy-1-propylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
CID 114636087
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663731
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol
CID 114636022
1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
CID 114636063

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol (CID 114636081) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol is CC1CCC(C)C(O)(c2c(Br)cnn2C(C)C)C1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol?
The InChIKey is HEBVINWDJMTWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-9(2)17-13(12(15)8-16-17)14(18)7-10(3)5-6-11(14)4/h8-11,18H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol has a molecular weight of 315.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114636081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).