[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine

C10H9BrFN3 — CID 84712527

IUPAC[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-n2cc(Br)cn2)c1
InChIInChI=1S/C10H9BrFN3/c11-8-5-14-15(6-8)10-3-7(4-13)1-2-9(10)12/h1-3,5-6H,4,13H2
InChIKeyMAWVEVSALSWTJS-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.23
Rot. Bonds2

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

[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine (PubChem CID 84712527) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine
PubChem CID84712527
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-n2cc(Br)cn2)c1
InChIInChI=1S/C10H9BrFN3/c11-8-5-14-15(6-8)10-3-7(4-13)1-2-9(10)12/h1-3,5-6H,4,13H2
InChIKeyMAWVEVSALSWTJS-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 ≤ 500270.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine
CID 79516871
[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine
CID 61035802
1-[4-(4-bromopyrazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63815553
4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
CID 90482951
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251
4-bromo-1-(3,4-difluorophenyl)pyrazole
CID 66521494
4-(4-bromopyrazol-1-yl)-3-fluoropyridine
CID 118450422
[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol
CID 62122562
[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 83642807
N-[[4-(4-bromopyrazol-1-yl)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63071728
[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 82929588
1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine
CID 114066108

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine (CID 84712527) is [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine is NCc1ccc(F)c(-n2cc(Br)cn2)c1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine?
The InChIKey is MAWVEVSALSWTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-8-5-14-15(6-8)10-3-7(4-13)1-2-9(10)12/h1-3,5-6H,4,13H2.
What are the key properties of [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine?
[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine has a molecular weight of 270.11 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 [3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 84712527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).