(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine

C12H13BrFN3 — CID 115816294

IUPAC(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2cc(F)ccc2Br)cn1
InChIInChI=1S/C12H13BrFN3/c1-2-17-7-8(6-16-17)12(15)10-5-9(14)3-4-11(10)13/h3-7,12H,2,15H2,1H3
InChIKeySWLMOXDOWLHNFW-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.85
Rot. Bonds3

About (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine

(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine (PubChem CID 115816294) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
PubChem CID115816294
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2cc(F)ccc2Br)cn1
InChIInChI=1S/C12H13BrFN3/c1-2-17-7-8(6-16-17)12(15)10-5-9(14)3-4-11(10)13/h3-7,12H,2,15H2,1H3
InChIKeySWLMOXDOWLHNFW-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815982
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635
(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816422
(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 114024187
N-[(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808137
(2,4-difluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63083868
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288776
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
CID 43096393
(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine (CID 115816294) is (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine is CCn1cc(C(N)c2cc(F)ccc2Br)cn1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine?
The InChIKey is SWLMOXDOWLHNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-2-17-7-8(6-16-17)12(15)10-5-9(14)3-4-11(10)13/h3-7,12H,2,15H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine?
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine has a molecular weight of 298.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115816294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).