(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine

C14H14FN3S — CID 105148276

IUPAC(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
SMILESCCn1nccc1C(N)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H14FN3S/c1-2-18-11(5-6-17-18)14(16)13-8-9-7-10(15)3-4-12(9)19-13/h3-8,14H,2,16H2,1H3
InChIKeyXIYIOKUTNZDTLU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.30
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine

(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine (PubChem CID 105148276) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
PubChem CID105148276
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
SMILESCCn1nccc1C(N)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H14FN3S/c1-2-18-11(5-6-17-18)14(16)13-8-9-7-10(15)3-4-12(9)19-13/h3-8,14H,2,16H2,1H3
InChIKeyXIYIOKUTNZDTLU-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
(2S)-1-thieno[2,3-g]indazol-1-ylpropan-2-amine
CID 44452810
(-)-(R)-2-(3-(1-(1H-pyrazol-1-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46830289
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435410
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435419
1-benzyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45881588
1-(1H-pyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothien-3-ylmethyl)propan-2-amine
CID 56722513
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N,N-dimethyl-3-pyrrolidinamine
CID 70783086
1-ethyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124368
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628686
1-[(2-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177650909

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine (CID 105148276) is (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine is CCn1nccc1C(N)c1cc2cc(F)ccc2s1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine?
The InChIKey is XIYIOKUTNZDTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-2-18-11(5-6-17-18)14(16)13-8-9-7-10(15)3-4-12(9)19-13/h3-8,14H,2,16H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine?
(2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine has a molecular weight of 275.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 105148276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).