1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol

C16H20BrFN2O — CID 82698544

IUPAC1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
SMILESCCc1nn(Cc2cc(F)ccc2Br)c(CC)c1C(C)O
InChIInChI=1S/C16H20BrFN2O/c1-4-14-16(10(3)21)15(5-2)20(19-14)9-11-8-12(18)6-7-13(11)17/h6-8,10,21H,4-5,9H2,1-3H3
InChIKeyOCKDQMVECHBKBN-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.01
Rot. Bonds5

About 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol

1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol (PubChem CID 82698544) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
PubChem CID82698544
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC Name1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
SMILESCCc1nn(Cc2cc(F)ccc2Br)c(CC)c1C(C)O
InChIInChI=1S/C16H20BrFN2O/c1-4-14-16(10(3)21)15(5-2)20(19-14)9-11-8-12(18)6-7-13(11)17/h6-8,10,21H,4-5,9H2,1-3H3
InChIKeyOCKDQMVECHBKBN-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697692
4-(1-chloroethyl)-3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazole
CID 105375133
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698540
[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 105375116
1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
CID 51000352
methyl 1-[(2-bromo-5-fluorophenyl)methyl]-5-ethyltriazole-4-carboxylate
CID 103105919
1-[(3-bromo-5-fluorophenyl)methyl]-4-(1-chloroethyl)-3,5-diethylpyrazole
CID 82698888
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
CID 82697397
[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700758
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 82698387
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62728744

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol (CID 82698544) is 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol is CCc1nn(Cc2cc(F)ccc2Br)c(CC)c1C(C)O.
What is the InChIKey of 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol?
The InChIKey is OCKDQMVECHBKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c1-4-14-16(10(3)21)15(5-2)20(19-14)9-11-8-12(18)6-7-13(11)17/h6-8,10,21H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol?
1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol has a molecular weight of 355.25 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 82698544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).