2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol

C16H20BrClN2O — CID 79437383

IUPAC2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
SMILESCCc1nn(CC)c(CC(CO)c2ccccc2Br)c1Cl
InChIInChI=1S/C16H20BrClN2O/c1-3-14-16(18)15(20(4-2)19-14)9-11(10-21)12-7-5-6-8-13(12)17/h5-8,11,21H,3-4,9-10H2,1-2H3
InChIKeyJFEVPXRJOWZFMS-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.20
Rot. Bonds6

About 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol

2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol (PubChem CID 79437383) has the molecular formula C16H20BrClN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
PubChem CID79437383
Molecular FormulaC16H20BrClN2O
Molecular Weight371.71 g/mol
Exact Mass370.04
IUPAC Name2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
SMILESCCc1nn(CC)c(CC(CO)c2ccccc2Br)c1Cl
InChIInChI=1S/C16H20BrClN2O/c1-3-14-16(18)15(20(4-2)19-14)9-11(10-21)12-7-5-6-8-13(12)17/h5-8,11,21H,3-4,9-10H2,1-2H3
InChIKeyJFEVPXRJOWZFMS-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 79455108
5-(3-bromo-2-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 66041659
2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79454682
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanamine
CID 107102651
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815316
5-(3-bromo-2-methyl-3-phenylpropyl)-4-chloro-1,3-diethylpyrazole
CID 104846518
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105001342
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815329
2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid
CID 79434068
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
CID 79432079
4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole
CID 79423087

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol?
The IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol (CID 79437383) is 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol is CCc1nn(CC)c(CC(CO)c2ccccc2Br)c1Cl.
What is the InChIKey of 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol?
The InChIKey is JFEVPXRJOWZFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O/c1-3-14-16(18)15(20(4-2)19-14)9-11(10-21)12-7-5-6-8-13(12)17/h5-8,11,21H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol?
2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol has a molecular weight of 371.71 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 79437383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).