1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C20H17N5O2S — CID 71805067

IUPAC1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1-c1ccc(=O)n(C)n1
InChIInChI=1S/C20H17N5O2S/c1-24-17(12-16(23-24)18-8-5-11-28-18)20(27)21-14-7-4-3-6-13(14)15-9-10-19(26)25(2)22-15/h3-12H,1-2H3,(H,21,27)
InChIKeyDAAMWNSAIWSXHD-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.16
Rot. Bonds4

About 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide

1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 71805067) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID71805067
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1-c1ccc(=O)n(C)n1
InChIInChI=1S/C20H17N5O2S/c1-24-17(12-16(23-24)18-8-5-11-28-18)20(27)21-14-7-4-3-6-13(14)15-9-10-19(26)25(2)22-15/h3-12H,1-2H3,(H,21,27)
InChIKeyDAAMWNSAIWSXHD-UHFFFAOYSA-N
XLogP3.16
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805068
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 86207596
1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 131909926
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 71805072
2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 71805033
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122303083
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762160
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 2580293

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 71805067) is 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide is Cn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1-c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is DAAMWNSAIWSXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-24-17(12-16(23-24)18-8-5-11-28-18)20(27)21-14-7-4-3-6-13(14)15-9-10-19(26)25(2)22-15/h3-12H,1-2H3,(H,21,27).
What are the key properties of 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 71805067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).