1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide

C15H15N5O2S — CID 86266336

IUPAC1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2ccc(-c3ccsc3)n2)ccc1=O
InChIInChI=1S/C15H15N5O2S/c1-19-14(21)3-2-13(17-19)15(22)16-6-8-20-7-4-12(18-20)11-5-9-23-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,16,22)
InChIKeyUAXWXFQEVIFYQC-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.14
Rot. Bonds5

About 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 86266336) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide
PubChem CID86266336
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2ccc(-c3ccsc3)n2)ccc1=O
InChIInChI=1S/C15H15N5O2S/c1-19-14(21)3-2-13(17-19)15(22)16-6-8-20-7-4-12(18-20)11-5-9-23-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,16,22)
InChIKeyUAXWXFQEVIFYQC-UHFFFAOYSA-N
XLogP1.14
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
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1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
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(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
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2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
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(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 24981883
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
N'-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 9583897
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-ethyl-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191217
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(2-thiophen-2-yl-acetyl)-o-tolyl-amino]-acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide (CID 86266336) is 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NCCn2ccc(-c3ccsc3)n2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is UAXWXFQEVIFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-19-14(21)3-2-13(17-19)15(22)16-6-8-20-7-4-12(18-20)11-5-9-23-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,16,22).
What are the key properties of 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 86266336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).