2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol

C12H12BrClN2O — CID 115068582

IUPAC2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol
SMILESOCCc1cnn(Cc2ccccc2Br)c1Cl
InChIInChI=1S/C12H12BrClN2O/c13-11-4-2-1-3-10(11)8-16-12(14)9(5-6-17)7-15-16/h1-4,7,17H,5-6,8H2
InChIKeyZJQIWCZGAQDNCV-UHFFFAOYSA-N
MW315.60 g/mol
LogP2.88
Rot. Bonds4

About 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol

2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol (PubChem CID 115068582) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol
PubChem CID115068582
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol
SMILESOCCc1cnn(Cc2ccccc2Br)c1Cl
InChIInChI=1S/C12H12BrClN2O/c13-11-4-2-1-3-10(11)8-16-12(14)9(5-6-17)7-15-16/h1-4,7,17H,5-6,8H2
InChIKeyZJQIWCZGAQDNCV-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 115068627
2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
CID 7844651
1-[(2-bromophenyl)methyl]-4-(chloromethyl)-5-propan-2-ylpyrazole
CID 66438185
3-[1-[(2-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276495
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
N-[[1-[(2-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66439602
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
1-[(2-bromophenyl)methyl]-5-methylpyrazole-4-carbaldehyde
CID 63276615
1-[(2-bromophenyl)methyl]-5-phenyltriazole
CID 14612090
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
1-[(2-bromophenyl)methyl]-5-chloro-3-methyl-4-propan-2-ylpyrazole
CID 66015913

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol (CID 115068582) is 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol is OCCc1cnn(Cc2ccccc2Br)c1Cl.
What is the InChIKey of 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol?
The InChIKey is ZJQIWCZGAQDNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c13-11-4-2-1-3-10(11)8-16-12(14)9(5-6-17)7-15-16/h1-4,7,17H,5-6,8H2.
What are the key properties of 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol?
2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol has a molecular weight of 315.60 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol is sourced from PubChem (CID 115068582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).