1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol

C15H16BrFN2O2 — CID 114637980

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESCOCCn1ncc(Br)c1C1(O)CCc2c(F)cccc21
InChIInChI=1S/C15H16BrFN2O2/c1-21-8-7-19-14(12(16)9-18-19)15(20)6-5-10-11(15)3-2-4-13(10)17/h2-4,9,20H,5-8H2,1H3
InChIKeyROMQFMJOJWEPQE-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.61
Rot. Bonds4

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 114637980) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID114637980
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESCOCCn1ncc(Br)c1C1(O)CCc2c(F)cccc21
InChIInChI=1S/C15H16BrFN2O2/c1-21-8-7-19-14(12(16)9-18-19)15(20)6-5-10-11(15)3-2-4-13(10)17/h2-4,9,20H,5-8H2,1H3
InChIKeyROMQFMJOJWEPQE-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
CID 114633294
4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
CID 114685403
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4,4-dimethylcycloheptan-1-ol
CID 114636278
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114634004
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-difluorophenyl)methanone
CID 115805972
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethyloxan-4-ol
CID 114635847
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83058418
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
CID 114633293
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylcyclopentan-1-ol
CID 114665161
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-fluorophenyl)methanol
CID 115835806
1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 114887043
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
CID 83069257

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol (CID 114637980) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol is COCCn1ncc(Br)c1C1(O)CCc2c(F)cccc21.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is ROMQFMJOJWEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-21-8-7-19-14(12(16)9-18-19)15(20)6-5-10-11(15)3-2-4-13(10)17/h2-4,9,20H,5-8H2,1H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 355.21 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 114637980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).