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

C15H19BrFN3 — CID 82697692

IUPAC[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2cc(F)ccc2Br)c(CC)c1CN
InChIInChI=1S/C15H19BrFN3/c1-3-14-12(8-18)15(4-2)20(19-14)9-10-7-11(17)5-6-13(10)16/h5-7H,3-4,8-9,18H2,1-2H3
InChIKeyCRFFZXLUAHUMTG-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.42
Rot. Bonds5

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

[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine (PubChem CID 82697692) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
PubChem CID82697692
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2cc(F)ccc2Br)c(CC)c1CN
InChIInChI=1S/C15H19BrFN3/c1-3-14-12(8-18)15(4-2)20(19-14)9-10-7-11(17)5-6-13(10)16/h5-7H,3-4,8-9,18H2,1-2H3
InChIKeyCRFFZXLUAHUMTG-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 105375116
1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698544
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62728744
4-(chloromethyl)-3,5-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]pyrazole
CID 114349051
[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700758
[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697601
[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697868
1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
CID 51000352
4-(1-chloroethyl)-3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazole
CID 105375133
methyl 1-[(2-bromo-5-fluorophenyl)methyl]-5-ethyltriazole-4-carboxylate
CID 103105919
2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 82926189

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine (CID 82697692) is [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine is CCc1nn(Cc2cc(F)ccc2Br)c(CC)c1CN.
What is the InChIKey of [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The InChIKey is CRFFZXLUAHUMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-3-14-12(8-18)15(4-2)20(19-14)9-10-7-11(17)5-6-13(10)16/h5-7H,3-4,8-9,18H2,1-2H3.
What are the key properties of [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine has a molecular weight of 340.24 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 82697692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).