1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine

C15H16FN3S — CID 105148450

IUPAC1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H16FN3S/c1-3-19-12(6-7-18-19)15(17-2)14-9-10-8-11(16)4-5-13(10)20-14/h4-9,15,17H,3H2,1-2H3
InChIKeyLTJWODOIJDIUDD-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.57
Rot. Bonds4

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

1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 105148450) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID105148450
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H16FN3S/c1-3-19-12(6-7-18-19)15(17-2)14-9-10-8-11(16)4-5-13(10)20-14/h4-9,15,17H,3H2,1-2H3
InChIKeyLTJWODOIJDIUDD-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.57
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
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
3-[3-(3-methyl-2-thienyl)phenyl]-1-(3-pyrrolidinylmethyl)-1H-pyrazole
CID 45202806
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-ethylpiperazine
CID 70731622
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine (CID 105148450) is 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine is CCn1nccc1C(NC)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is LTJWODOIJDIUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c1-3-19-12(6-7-18-19)15(17-2)14-9-10-8-11(16)4-5-13(10)20-14/h4-9,15,17H,3H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105148450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).