1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol

C13H16BrN3O — CID 107633847

IUPAC1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESCc1c(Br)cccc1NCC(O)Cn1cccn1
InChIInChI=1S/C13H16BrN3O/c1-10-12(14)4-2-5-13(10)15-8-11(18)9-17-7-3-6-16-17/h2-7,11,15,18H,8-9H2,1H3
InChIKeyOOXIGXXVEYVSDS-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.43
Rot. Bonds5

About 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol

1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 107633847) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID107633847
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESCc1c(Br)cccc1NCC(O)Cn1cccn1
InChIInChI=1S/C13H16BrN3O/c1-10-12(14)4-2-5-13(10)15-8-11(18)9-17-7-3-6-16-17/h2-7,11,15,18H,8-9H2,1H3
InChIKeyOOXIGXXVEYVSDS-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol 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

3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 55132052
1-(2-chloro-4-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899821
1-(4-bromo-3-methoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 82868105
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
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-[(1,5-dimethylpyrazol-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114253550
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
CID 115378206
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol (CID 107633847) is 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol is Cc1c(Br)cccc1NCC(O)Cn1cccn1.
What is the InChIKey of 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is OOXIGXXVEYVSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-10-12(14)4-2-5-13(10)15-8-11(18)9-17-7-3-6-16-17/h2-7,11,15,18H,8-9H2,1H3.
What are the key properties of 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol?
1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 310.19 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 107633847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).