1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine

C11H15N3S — CID 121213649

IUPAC1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(CNC)c(-c2ccsc2)n1
InChIInChI=1S/C11H15N3S/c1-3-14-7-10(6-12-2)11(13-14)9-4-5-15-8-9/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyFHFDVKUYQINHPX-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.35
Rot. Bonds4

About 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine

1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 121213649) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine
PubChem CID121213649
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(CNC)c(-c2ccsc2)n1
InChIInChI=1S/C11H15N3S/c1-3-14-7-10(6-12-2)11(13-14)9-4-5-15-8-9/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyFHFDVKUYQINHPX-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
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2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
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CID 43435410
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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine (CID 121213649) is 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine is CCn1cc(CNC)c(-c2ccsc2)n1.
What is the InChIKey of 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is FHFDVKUYQINHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-14-7-10(6-12-2)11(13-14)9-4-5-15-8-9/h4-5,7-8,12H,3,6H2,1-2H3.
What are the key properties of 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine?
1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-thiophen-3-ylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 121213649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).