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

C16H21BrN2O — CID 79454682

IUPAC2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
SMILESCCc1cc(CC(CO)c2ccccc2Br)n(CC)n1
InChIInChI=1S/C16H21BrN2O/c1-3-13-10-14(19(4-2)18-13)9-12(11-20)15-7-5-6-8-16(15)17/h5-8,10,12,20H,3-4,9,11H2,1-2H3
InChIKeyGLXHWBRLCPSJMG-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.55
Rot. Bonds6

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

2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol (PubChem CID 79454682) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
PubChem CID79454682
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
SMILESCCc1cc(CC(CO)c2ccccc2Br)n(CC)n1
InChIInChI=1S/C16H21BrN2O/c1-3-13-10-14(19(4-2)18-13)9-12(11-20)15-7-5-6-8-16(15)17/h5-8,10,12,20H,3-4,9,11H2,1-2H3
InChIKeyGLXHWBRLCPSJMG-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole
CID 79455109
5-[3-bromo-2-(2-methylphenyl)propyl]-1,3-diethylpyrazole
CID 79418365
2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79437383
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
CID 66059308
1-(2-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66142679
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
5-[3-bromo-2-(4-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 79435546
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
2-(3-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431382
3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
CID 79454756
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol?
The IUPAC name of 2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol (CID 79454682) is 2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol is CCc1cc(CC(CO)c2ccccc2Br)n(CC)n1.
What is the InChIKey of 2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol?
The InChIKey is GLXHWBRLCPSJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-3-13-10-14(19(4-2)18-13)9-12(11-20)15-7-5-6-8-16(15)17/h5-8,10,12,20H,3-4,9,11H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol?
2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol has a molecular weight of 337.26 g/mol, XLogP of 3.55, 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-(1,3-diethylpyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 79454682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).