N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide

C15H15N5O2S — CID 71790801

IUPACN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C15H15N5O2S/c21-14(11-12-3-1-10-23-12)16-7-9-20-15(22)5-4-13(18-20)19-8-2-6-17-19/h1-6,8,10H,7,9,11H2,(H,16,21)
InChIKeyZVIAFQRHVNPWRZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 71790801) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID71790801
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC NameN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C15H15N5O2S/c21-14(11-12-3-1-10-23-12)16-7-9-20-15(22)5-4-13(18-20)19-8-2-6-17-19/h1-6,8,10H,7,9,11H2,(H,16,21)
InChIKeyZVIAFQRHVNPWRZ-UHFFFAOYSA-N
XLogP0.85
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
CID 90538846
2-bromo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538817
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517413
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538756
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-phenoxybenzamide
CID 90538856
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90538823
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538642
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 90538814
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805266
(E)-3-(4-fluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]prop-2-enamide
CID 90538706

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 71790801) is N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1nc(-n2cccn2)ccc1=O.
What is the InChIKey of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZVIAFQRHVNPWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-14(11-12-3-1-10-23-12)16-7-9-20-15(22)5-4-13(18-20)19-8-2-6-17-19/h1-6,8,10H,7,9,11H2,(H,16,21).
What are the key properties of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 329.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71790801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).