1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C14H17BrN2O — CID 114024293

IUPAC1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCc1cccc(C(O)CCc2cnn(C)c2)c1Br
InChIInChI=1S/C14H17BrN2O/c1-10-4-3-5-12(14(10)15)13(18)7-6-11-8-16-17(2)9-11/h3-5,8-9,13,18H,6-7H2,1-2H3
InChIKeyPBUCKLHSXXBBGV-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 114024293) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID114024293
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCc1cccc(C(O)CCc2cnn(C)c2)c1Br
InChIInChI=1S/C14H17BrN2O/c1-10-4-3-5-12(14(10)15)13(18)7-6-11-8-16-17(2)9-11/h3-5,8-9,13,18H,6-7H2,1-2H3
InChIKeyPBUCKLHSXXBBGV-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-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

1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 103008373
1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006443
1-(2,3-dihydro-1H-indol-7-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006799
4-[4-bromo-3-(2-methylphenyl)butyl]-1-methylpyrazole
CID 103018532
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103005951
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 107985814
1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 103008136

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 114024293) is 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cc1cccc(C(O)CCc2cnn(C)c2)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is PBUCKLHSXXBBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-10-4-3-5-12(14(10)15)13(18)7-6-11-8-16-17(2)9-11/h3-5,8-9,13,18H,6-7H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 309.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 114024293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).