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

C13H13BrClFN2O2 — CID 114643608

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H13BrClFN2O2/c1-20-5-4-18-12(10(14)7-17-18)13(19)9-3-2-8(15)6-11(9)16/h2-3,6-7,13,19H,4-5H2,1H3
InChIKeyVTCPLHUIQQTGMD-UHFFFAOYSA-N
MW363.61 g/mol
LogP3.17
Rot. Bonds5

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

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol (PubChem CID 114643608) has the molecular formula C13H13BrClFN2O2 and a molecular weight of 363.61 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
PubChem CID114643608
Molecular FormulaC13H13BrClFN2O2
Molecular Weight363.61 g/mol
Exact Mass361.98
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H13BrClFN2O2/c1-20-5-4-18-12(10(14)7-17-18)13(19)9-3-2-8(15)6-11(9)16/h2-3,6-7,13,19H,4-5H2,1H3
InChIKeyVTCPLHUIQQTGMD-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

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
CID 115835806
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
CID 106790609
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839430
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
CID 105337278
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,4-dichlorophenyl)ethanamine
CID 114646758
[(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105281020
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638085
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol (CID 114643608) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol is COCCn1ncc(Br)c1C(O)c1ccc(Cl)cc1F.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol?
The InChIKey is VTCPLHUIQQTGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN2O2/c1-20-5-4-18-12(10(14)7-17-18)13(19)9-3-2-8(15)6-11(9)16/h2-3,6-7,13,19H,4-5H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)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 [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 114643608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).