(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

C13H12BrClF2N2O2 — CID 115839349

IUPAC(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H12BrClF2N2O2/c1-21-3-2-19-12(8(15)6-18-19)13(20)11-9(16)4-7(14)5-10(11)17/h4-6,13,20H,2-3H2,1H3
InChIKeyQHCZERMCPLPFOO-UHFFFAOYSA-N
MW381.60 g/mol
LogP3.31
Rot. Bonds5

About (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (PubChem CID 115839349) has the molecular formula C13H12BrClF2N2O2 and a molecular weight of 381.60 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
PubChem CID115839349
Molecular FormulaC13H12BrClF2N2O2
Molecular Weight381.60 g/mol
Exact Mass379.97
IUPAC Name(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H12BrClF2N2O2/c1-21-3-2-19-12(8(15)6-18-19)13(20)11-9(16)4-7(14)5-10(11)17/h4-6,13,20H,2-3H2,1H3
InChIKeyQHCZERMCPLPFOO-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839430
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
(4-bromo-3-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114637324
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977808
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815191
(5-bromo-2-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 114894463
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636774
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
CID 114645430

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (CID 115839349) is (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is COCCn1ncc(Cl)c1C(O)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The InChIKey is QHCZERMCPLPFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClF2N2O2/c1-21-3-2-19-12(8(15)6-18-19)13(20)11-9(16)4-7(14)5-10(11)17/h4-6,13,20H,2-3H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol has a molecular weight of 381.60 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 115839349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).