2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol

C14H17BrN2O — CID 103005777

IUPAC2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CCC(C)(O)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-14(18,12-5-3-4-6-13(12)15)9-7-11-8-10-16-17(11)2/h3-6,8,10,18H,7,9H2,1-2H3
InChIKeyICHAVABAFBICOD-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.02
Rot. Bonds4

About 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol

2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103005777) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID103005777
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CCC(C)(O)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-14(18,12-5-3-4-6-13(12)15)9-7-11-8-10-16-17(11)2/h3-6,8,10,18H,7,9H2,1-2H3
InChIKeyICHAVABAFBICOD-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103006623
2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol
CID 103018870
1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol
CID 103006901
3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103006315
2-(2-bromophenyl)-6-methylheptan-2-ol
CID 83157247
2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole
CID 103018712
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
5-[3-(4-bromophenyl)-4-chloro-3-(chloromethyl)butyl]-1-methylpyrazole
CID 103018999
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol (CID 103005777) is 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol is Cn1nccc1CCC(C)(O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is ICHAVABAFBICOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-14(18,12-5-3-4-6-13(12)15)9-7-11-8-10-16-17(11)2/h3-6,8,10,18H,7,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 309.21 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103005777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).