(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C14H14FN3O — CID 112614611

IUPAC(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCCn1cc(C(N)c2cc3cccc(F)c3o2)cn1
InChIInChI=1S/C14H14FN3O/c1-2-18-8-10(7-17-18)13(16)12-6-9-4-3-5-11(15)14(9)19-12/h3-8,13H,2,16H2,1H3
InChIKeyBZSSGOIFAKMWQI-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.84
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine

(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 112614611) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID112614611
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCCn1cc(C(N)c2cc3cccc(F)c3o2)cn1
InChIInChI=1S/C14H14FN3O/c1-2-18-8-10(7-17-18)13(16)12-6-9-4-3-5-11(15)14(9)19-12/h3-8,13H,2,16H2,1H3
InChIKeyBZSSGOIFAKMWQI-UHFFFAOYSA-N
XLogP2.84
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105109370
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
CID 105047405
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
(1-ethylpyrazol-4-yl)-quinolin-8-ylmethanamine
CID 105109051
(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816422
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 114730572
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 112614611) is (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine is CCn1cc(C(N)c2cc3cccc(F)c3o2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is BZSSGOIFAKMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-2-18-8-10(7-17-18)13(16)12-6-9-4-3-5-11(15)14(9)19-12/h3-8,13H,2,16H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 259.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 112614611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).