[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine

C10H9BrFN3 — CID 83903258

IUPAC[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine
SMILESNCc1nn(-c2cccc(F)c2)cc1Br
InChIInChI=1S/C10H9BrFN3/c11-9-6-15(14-10(9)5-13)8-3-1-2-7(12)4-8/h1-4,6H,5,13H2
InChIKeyYZLHVZIPMJQDQC-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.23
Rot. Bonds2

About [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine

[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine (PubChem CID 83903258) has the molecular formula C10H9BrFN3 and a molecular weight of 270.10 g/mol. Its IUPAC name is [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine
PubChem CID83903258
Molecular FormulaC10H9BrFN3
Molecular Weight270.10 g/mol
Exact Mass269.00
IUPAC Name[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine
SMILESNCc1nn(-c2cccc(F)c2)cc1Br
InChIInChI=1S/C10H9BrFN3/c11-9-6-15(14-10(9)5-13)8-3-1-2-7(12)4-8/h1-4,6H,5,13H2
InChIKeyYZLHVZIPMJQDQC-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanol
CID 116818765
ethyl 4-bromo-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 162639246
1-(3-fluorophenyl)-4-methylpyrazol-3-amine
CID 62677931
1-(3-fluorophenyl)-3-methylpyrazol-4-amine
CID 83222800
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine
CID 104653732
3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine
CID 83204612
1-[4-bromo-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-methylmethanamine
CID 116818647
6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421930
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
CID 83864514
O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine
CID 117167593

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine (CID 83903258) is [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine is NCc1nn(-c2cccc(F)c2)cc1Br.
What is the InChIKey of [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine?
The InChIKey is YZLHVZIPMJQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-9-6-15(14-10(9)5-13)8-3-1-2-7(12)4-8/h1-4,6H,5,13H2.
What are the key properties of [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine?
[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine has a molecular weight of 270.10 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 83903258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).