1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol

C12H19BrN2O2 — CID 103448231

IUPAC1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol
SMILESCc1nn(C)c(CC(O)C2(O)CCCC2)c1Br
InChIInChI=1S/C12H19BrN2O2/c1-8-11(13)9(15(2)14-8)7-10(16)12(17)5-3-4-6-12/h10,16-17H,3-7H2,1-2H3
InChIKeyZEMUOHLTZDJGDQ-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol

1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol (PubChem CID 103448231) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol
PubChem CID103448231
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol
SMILESCc1nn(C)c(CC(O)C2(O)CCCC2)c1Br
InChIInChI=1S/C12H19BrN2O2/c1-8-11(13)9(15(2)14-8)7-10(16)12(17)5-3-4-6-12/h10,16-17H,3-7H2,1-2H3
InChIKeyZEMUOHLTZDJGDQ-UHFFFAOYSA-N
XLogP1.70
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451929
1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451661
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066422
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756067
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105000202
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopentylpropan-2-ol
CID 115814579
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
CID 79088051
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761546
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
CID 103457086
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107189630
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol (CID 103448231) is 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol is Cc1nn(C)c(CC(O)C2(O)CCCC2)c1Br.
What is the InChIKey of 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol?
The InChIKey is ZEMUOHLTZDJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-8-11(13)9(15(2)14-8)7-10(16)12(17)5-3-4-6-12/h10,16-17H,3-7H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol?
1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol has a molecular weight of 303.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol is sourced from PubChem (CID 103448231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).