2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol

C12H14BrN3O — CID 43629979

IUPAC2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol
SMILESCc1cc(Br)ccc1-c1cc(N)n(CCO)n1
InChIInChI=1S/C12H14BrN3O/c1-8-6-9(13)2-3-10(8)11-7-12(14)16(15-11)4-5-17/h2-3,6-7,17H,4-5,14H2,1H3
InChIKeyIFVXSBIOQIAMOT-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.20
Rot. Bonds3

About 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol (PubChem CID 43629979) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol
PubChem CID43629979
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol
SMILESCc1cc(Br)ccc1-c1cc(N)n(CCO)n1
InChIInChI=1S/C12H14BrN3O/c1-8-6-9(13)2-3-10(8)11-7-12(14)16(15-11)4-5-17/h2-3,6-7,17H,4-5,14H2,1H3
InChIKeyIFVXSBIOQIAMOT-UHFFFAOYSA-N
XLogP2.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol
CID 114020305
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CID 43348910
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2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol
CID 165499940
2-[5-amino-3-(3-bromo-5-fluorophenyl)pyrazol-1-yl]ethanol
CID 43248449
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CID 43348917
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CID 43348875
2-[5-amino-3-(3-methoxy-4-pyridinyl)pyrazol-1-yl]ethanol
CID 105063635
1-butyl-3-(2-methylphenyl)pyrazol-5-amine
CID 61270915
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663
2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol
CID 43348896
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CID 61406977

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol (CID 43629979) is 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol is Cc1cc(Br)ccc1-c1cc(N)n(CCO)n1.
What is the InChIKey of 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol?
The InChIKey is IFVXSBIOQIAMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-8-6-9(13)2-3-10(8)11-7-12(14)16(15-11)4-5-17/h2-3,6-7,17H,4-5,14H2,1H3.
What are the key properties of 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol has a molecular weight of 296.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 43629979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).