1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol

C12H13BrClN3O — CID 55132052

IUPAC1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1cc(Br)ccc1Cl)Cn1cccn1
InChIInChI=1S/C12H13BrClN3O/c13-9-2-3-11(14)12(6-9)15-7-10(18)8-17-5-1-4-16-17/h1-6,10,15,18H,7-8H2
InChIKeyGFXWPJPMMVFIOJ-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.77
Rot. Bonds5

About 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol

1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 55132052) has the molecular formula C12H13BrClN3O and a molecular weight of 330.61 g/mol. Its IUPAC name is 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID55132052
Molecular FormulaC12H13BrClN3O
Molecular Weight330.61 g/mol
Exact Mass328.99
IUPAC Name1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1cc(Br)ccc1Cl)Cn1cccn1
InChIInChI=1S/C12H13BrClN3O/c13-9-2-3-11(14)12(6-9)15-7-10(18)8-17-5-1-4-16-17/h1-6,10,15,18H,7-8H2
InChIKeyGFXWPJPMMVFIOJ-UHFFFAOYSA-N
XLogP2.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899821
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 116783900
1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 107633847
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820
1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898605
1-(2,5-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898666
1-(4-bromo-3-methoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 82868105
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol (CID 55132052) is 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol is OC(CNc1cc(Br)ccc1Cl)Cn1cccn1.
What is the InChIKey of 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is GFXWPJPMMVFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O/c13-9-2-3-11(14)12(6-9)15-7-10(18)8-17-5-1-4-16-17/h1-6,10,15,18H,7-8H2.
What are the key properties of 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol?
1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 330.61 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 55132052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).