1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol

C14H15BrClFN2O — CID 166560031

IUPAC1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol
SMILESCCn1cc(CCC(O)c2ccc(F)cc2Br)c(Cl)n1
InChIInChI=1S/C14H15BrClFN2O/c1-2-19-8-9(14(16)18-19)3-6-13(20)11-5-4-10(17)7-12(11)15/h4-5,7-8,13,20H,2-3,6H2,1H3
InChIKeyLTLZCQCKNLLYCW-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.12
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol

1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol (PubChem CID 166560031) has the molecular formula C14H15BrClFN2O and a molecular weight of 361.64 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol
PubChem CID166560031
Molecular FormulaC14H15BrClFN2O
Molecular Weight361.64 g/mol
Exact Mass360.00
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol
SMILESCCn1cc(CCC(O)c2ccc(F)cc2Br)c(Cl)n1
InChIInChI=1S/C14H15BrClFN2O/c1-2-19-8-9(14(16)18-19)3-6-13(20)11-5-4-10(17)7-12(11)15/h4-5,7-8,13,20H,2-3,6H2,1H3
InChIKeyLTLZCQCKNLLYCW-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol (CID 166560031) is 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol is CCn1cc(CCC(O)c2ccc(F)cc2Br)c(Cl)n1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol?
The InChIKey is LTLZCQCKNLLYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClFN2O/c1-2-19-8-9(14(16)18-19)3-6-13(20)11-5-4-10(17)7-12(11)15/h4-5,7-8,13,20H,2-3,6H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol?
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol has a molecular weight of 361.64 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(3-chloro-1-ethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 166560031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).