2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol

C12H13BrClN3O — CID 146104514

IUPAC2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
SMILESOCCn1ccc(NCc2c(Cl)cccc2Br)n1
InChIInChI=1S/C12H13BrClN3O/c13-10-2-1-3-11(14)9(10)8-15-12-4-5-17(16-12)6-7-18/h1-5,18H,6-8H2,(H,15,16)
InChIKeyOMCVPROMGUGPTB-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.90
Rot. Bonds5

About 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol

2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 146104514) has the molecular formula C12H13BrClN3O and a molecular weight of 330.61 g/mol. Its IUPAC name is 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
PubChem CID146104514
Molecular FormulaC12H13BrClN3O
Molecular Weight330.61 g/mol
Exact Mass328.99
IUPAC Name2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
SMILESOCCn1ccc(NCc2c(Cl)cccc2Br)n1
InChIInChI=1S/C12H13BrClN3O/c13-10-2-1-3-11(14)9(10)8-15-12-4-5-17(16-12)6-7-18/h1-5,18H,6-8H2,(H,15,16)
InChIKeyOMCVPROMGUGPTB-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

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Related Compounds

2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 146104499
3-[[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]methyl]phenol
CID 122168771
2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166587
2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166769
2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126965228
2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607
2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122167078
N-[1-(2-hydroxyethyl)pyrazol-3-yl]acetamide
CID 141183209
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
N-[(3-methylphenyl)methyl]-1-propylpyrazol-3-amine
CID 19625908
1-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397134
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19327019

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol (CID 146104514) is 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol is OCCn1ccc(NCc2c(Cl)cccc2Br)n1.
What is the InChIKey of 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is OMCVPROMGUGPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O/c13-10-2-1-3-11(14)9(10)8-15-12-4-5-17(16-12)6-7-18/h1-5,18H,6-8H2,(H,15,16).
What are the key properties of 2-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol?
2-[3-[(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-[3-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 146104514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).