[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol

C13H13BrClFN2O2 — CID 115835806

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1cccc(F)c1Cl
InChIInChI=1S/C13H13BrClFN2O2/c1-20-6-5-18-12(9(14)7-17-18)13(19)8-3-2-4-10(16)11(8)15/h2-4,7,13,19H,5-6H2,1H3
InChIKeyXRRNCVUOWLZDMU-UHFFFAOYSA-N
MW363.61 g/mol
LogP3.17
Rot. Bonds5

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol (PubChem CID 115835806) 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]-(2-chloro-3-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
PubChem CID115835806
Molecular FormulaC13H13BrClFN2O2
Molecular Weight363.61 g/mol
Exact Mass361.98
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
SMILESCOCCn1ncc(Br)c1C(O)c1cccc(F)c1Cl
InChIInChI=1S/C13H13BrClFN2O2/c1-20-6-5-18-12(9(14)7-17-18)13(19)8-3-2-4-10(16)11(8)15/h2-4,7,13,19H,5-6H2,1H3
InChIKeyXRRNCVUOWLZDMU-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]-(4-chloro-2-fluorophenyl)methanol
CID 114643608
[(2-bromo-3-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105337306
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol
CID 114638223
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839430
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 114887043
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-methylphenyl)methanamine
CID 107103101
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
CID 106790609
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methanol
CID 115835804

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol (CID 115835806) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol is COCCn1ncc(Br)c1C(O)c1cccc(F)c1Cl.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol?
The InChIKey is XRRNCVUOWLZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN2O2/c1-20-6-5-18-12(9(14)7-17-18)13(19)8-3-2-4-10(16)11(8)15/h2-4,7,13,19H,5-6H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-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]-(2-chloro-3-fluorophenyl)methanol is sourced from PubChem (CID 115835806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).