[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine

C10H9BrFN3 — CID 79516871

IUPAC[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1-n1cc(Br)cn1
InChIInChI=1S/C10H9BrFN3/c11-7-5-14-15(6-7)10-3-1-2-9(12)8(10)4-13/h1-3,5-6H,4,13H2
InChIKeyRXCQTCKMVPSEHK-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.23
Rot. Bonds2

About [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine

[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine (PubChem CID 79516871) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine
PubChem CID79516871
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1-n1cc(Br)cn1
InChIInChI=1S/C10H9BrFN3/c11-7-5-14-15(6-7)10-3-1-2-9(12)8(10)4-13/h1-3,5-6H,4,13H2
InChIKeyRXCQTCKMVPSEHK-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

1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine
CID 114066108
1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]butan-2-amine
CID 114066107
[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine
CID 84712527
4-(4-bromopyrazol-1-yl)-3-fluoropyridine
CID 118450422
4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
CID 90482951
[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 79517436
(2-fluoro-6-indazol-1-ylphenyl)methanamine
CID 79517639
1-[4-(4-bromopyrazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63815553
[2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine
CID 79515347
N-[[2-(4-bromopyrazol-1-yl)-6-chlorophenyl]methyl]cyclopropanamine
CID 54910024
[6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine
CID 62295440
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine (CID 79516871) is [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine is NCc1c(F)cccc1-n1cc(Br)cn1.
What is the InChIKey of [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine?
The InChIKey is RXCQTCKMVPSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-7-5-14-15(6-7)10-3-1-2-9(12)8(10)4-13/h1-3,5-6H,4,13H2.
What are the key properties of [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine?
[2-(4-bromopyrazol-1-yl)-6-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 [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine is sourced from PubChem (CID 79516871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).