2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol

C12H13BrClN3O — CID 146104499

IUPAC2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2c(Cl)cccc2Br)cn1
InChIInChI=1S/C12H13BrClN3O/c13-11-2-1-3-12(14)10(11)7-15-9-6-16-17(8-9)4-5-18/h1-3,6,8,15,18H,4-5,7H2
InChIKeyAXCKQJKPCYMKFU-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.90
Rot. Bonds5

About 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol

2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 146104499) has the molecular formula C12H13BrClN3O and a molecular weight of 330.61 g/mol. Its IUPAC name is 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
PubChem CID146104499
Molecular FormulaC12H13BrClN3O
Molecular Weight330.61 g/mol
Exact Mass328.99
IUPAC Name2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2c(Cl)cccc2Br)cn1
InChIInChI=1S/C12H13BrClN3O/c13-11-2-1-3-12(14)10(11)7-15-9-6-16-17(8-9)4-5-18/h1-3,6,8,15,18H,4-5,7H2
InChIKeyAXCKQJKPCYMKFU-UHFFFAOYSA-N
XLogP2.90
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol 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

2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 146104514
2-bromo-6-[[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 110928826
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928879
2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol
CID 115607977
2-[4-[(4-bromo-2-fluorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928870
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
2-[4-[(3-chloroanilino)methyl]pyrazol-1-yl]ethanol
CID 64830921
2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924581
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19395555
2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965274

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol (CID 146104499) is 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol is OCCn1cc(NCc2c(Cl)cccc2Br)cn1.
What is the InChIKey of 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is AXCKQJKPCYMKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O/c13-11-2-1-3-12(14)10(11)7-15-9-6-16-17(8-9)4-5-18/h1-3,6,8,15,18H,4-5,7H2.
What are the key properties of 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 330.61 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 146104499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).