[3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine

C10H9BrFN3 — CID 82973962

IUPAC[3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(Br)cc2F)n[nH]1
InChIInChI=1S/C10H9BrFN3/c11-6-1-2-8(9(12)3-6)10-4-7(5-13)14-15-10/h1-4H,5,13H2,(H,14,15)
InChIKeyRGFFYDNYAOWGEH-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.44
Rot. Bonds2

About [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine

[3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82973962) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID82973962
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name[3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccc(Br)cc2F)n[nH]1
InChIInChI=1S/C10H9BrFN3/c11-6-1-2-8(9(12)3-6)10-4-7(5-13)14-15-10/h1-4H,5,13H2,(H,14,15)
InChIKeyRGFFYDNYAOWGEH-UHFFFAOYSA-N
XLogP2.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
CID 62112168
4-(4-bromo-2-fluorophenyl)-2H-triazole
CID 130873636
N-[[3-(5-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 82972817
1-[3-(4-bromo-2-chlorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 82779069
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine
CID 43363465
1-[3-(4-bromo-2-chlorophenyl)-1H-pyrazol-5-yl]butan-2-amine
CID 82781311
2-[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 103083999
[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 82954381
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
CID 82488410
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 82967723
1-[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697789

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine (CID 82973962) is [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine is NCc1cc(-c2ccc(Br)cc2F)n[nH]1.
What is the InChIKey of [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is RGFFYDNYAOWGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-6-1-2-8(9(12)3-6)10-4-7(5-13)14-15-10/h1-4H,5,13H2,(H,14,15).
What are the key properties of [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
[3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 270.11 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).