2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol

C15H26BrN3O — CID 79066422

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCc1nn(C)c(CC(O)C2(N(C)C)CCCCC2)c1Br
InChIInChI=1S/C15H26BrN3O/c1-11-14(16)12(19(4)17-11)10-13(20)15(18(2)3)8-6-5-7-9-15/h13,20H,5-10H2,1-4H3
InChIKeyFSYRNCWXKMFFTI-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol (PubChem CID 79066422) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
PubChem CID79066422
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCc1nn(C)c(CC(O)C2(N(C)C)CCCCC2)c1Br
InChIInChI=1S/C15H26BrN3O/c1-11-14(16)12(19(4)17-11)10-13(20)15(18(2)3)8-6-5-7-9-15/h13,20H,5-10H2,1-4H3
InChIKeyFSYRNCWXKMFFTI-UHFFFAOYSA-N
XLogP2.66
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol (CID 79066422) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol is Cc1nn(C)c(CC(O)C2(N(C)C)CCCCC2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The InChIKey is FSYRNCWXKMFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-11-14(16)12(19(4)17-11)10-13(20)15(18(2)3)8-6-5-7-9-15/h13,20H,5-10H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol has a molecular weight of 344.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol is sourced from PubChem (CID 79066422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).