N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide

C16H17N5O2S — CID 71790814

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
InChIInChI=1S/C16H17N5O2S/c1-11-10-12(2)21(18-11)14-5-6-15(22)20(19-14)8-7-17-16(23)13-4-3-9-24-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,23)
InChIKeyPVDGXWNFWTVVTP-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.54
Rot. Bonds5

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 71790814) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID71790814
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1
InChIInChI=1S/C16H17N5O2S/c1-11-10-12(2)21(18-11)14-5-6-15(22)20(19-14)8-7-17-16(23)13-4-3-9-24-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,23)
InChIKeyPVDGXWNFWTVVTP-UHFFFAOYSA-N
XLogP1.54
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide (CID 71790814) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide is Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cccs3)n2)n1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is PVDGXWNFWTVVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-11-10-12(2)21(18-11)14-5-6-15(22)20(19-14)8-7-17-16(23)13-4-3-9-24-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,23).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71790814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).