(1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol

C6H9BrN2O — CID 124672470

IUPAC(1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol
SMILESC[C@@H](O)c1nn(C)cc1Br
InChIInChI=1S/C6H9BrN2O/c1-4(10)6-5(7)3-9(2)8-6/h3-4,10H,1-2H3/t4-/m1/s1
InChIKeyHYXYHKXZOBNGMJ-SCSAIBSYSA-N
MW205.06 g/mol
LogP1.24
Rot. Bonds1

About (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol

(1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol (PubChem CID 124672470) has the molecular formula C6H9BrN2O and a molecular weight of 205.06 g/mol. Its IUPAC name is (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol
PubChem CID124672470
Molecular FormulaC6H9BrN2O
Molecular Weight205.06 g/mol
Exact Mass203.99
IUPAC Name(1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol
SMILESC[C@@H](O)c1nn(C)cc1Br
InChIInChI=1S/C6H9BrN2O/c1-4(10)6-5(7)3-9(2)8-6/h3-4,10H,1-2H3/t4-/m1/s1
InChIKeyHYXYHKXZOBNGMJ-SCSAIBSYSA-N
XLogP1.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-1-methylpyrazol-3-yl)-3-methylbutanoic acid
CID 83902013
4-bromo-1,3-dimethylpyrazole
CID 12615416
1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine
CID 83887921
2-(4-bromo-1-methylpyrazol-3-yl)ethanol
CID 84672844
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
4-bromo-3-(bromomethyl)-1-methylpyrazole
CID 67979675
4-bromo-N,N-di(butan-2-yl)-1-methylpyrazole-3-carboxamide
CID 19575677
3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole
CID 139370353
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 148767484
1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105423937
methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate
CID 130477952
(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 91758961

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol?
The IUPAC name of (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol (CID 124672470) is (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol is C[C@@H](O)c1nn(C)cc1Br.
What is the InChIKey of (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol?
The InChIKey is HYXYHKXZOBNGMJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-4(10)6-5(7)3-9(2)8-6/h3-4,10H,1-2H3/t4-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol?
(1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol has a molecular weight of 205.06 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 124672470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).