(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

C13H13BrClFN2O2 — CID 115839430

IUPAC(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cc(F)ccc1Br
InChIInChI=1S/C13H13BrClFN2O2/c1-20-5-4-18-12(11(15)7-17-18)13(19)9-6-8(16)2-3-10(9)14/h2-3,6-7,13,19H,4-5H2,1H3
InChIKeyHZRWDIJODSWWBK-UHFFFAOYSA-N
MW363.61 g/mol
LogP3.17
Rot. Bonds5

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

(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (PubChem CID 115839430) has the molecular formula C13H13BrClFN2O2 and a molecular weight of 363.61 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
PubChem CID115839430
Molecular FormulaC13H13BrClFN2O2
Molecular Weight363.61 g/mol
Exact Mass361.98
IUPAC Name(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cc(F)ccc1Br
InChIInChI=1S/C13H13BrClFN2O2/c1-20-5-4-18-12(11(15)7-17-18)13(19)9-6-8(16)2-3-10(9)14/h2-3,6-7,13,19H,4-5H2,1H3
InChIKeyHZRWDIJODSWWBK-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.61
LogP ≤ 53.17
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]methanamine
CID 105054667
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
1-(2-bromo-5-fluorophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 105054492
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
(4-bromo-3-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114637324
[(2-bromo-4-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105342355
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839349
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-ethoxyphenyl)methanol
CID 114634109
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (CID 115839430) is (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is COCCn1ncc(Cl)c1C(O)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The InChIKey is HZRWDIJODSWWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN2O2/c1-20-5-4-18-12(11(15)7-17-18)13(19)9-6-8(16)2-3-10(9)14/h2-3,6-7,13,19H,4-5H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol has a molecular weight of 363.61 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 115839430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).