1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide

C16H22N6O2S — CID 120867138

IUPAC1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCNC(C)Cc1noc(C(C)NC(=O)c2cc3c(C)nn(C)c3s2)n1
InChIInChI=1S/C16H22N6O2S/c1-8(17-4)6-13-19-15(24-21-13)10(3)18-14(23)12-7-11-9(2)20-22(5)16(11)25-12/h7-8,10,17H,6H2,1-5H3,(H,18,23)
InChIKeyOTQUWOPEEIKUBS-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.97
Rot. Bonds6

About 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 120867138) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID120867138
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCNC(C)Cc1noc(C(C)NC(=O)c2cc3c(C)nn(C)c3s2)n1
InChIInChI=1S/C16H22N6O2S/c1-8(17-4)6-13-19-15(24-21-13)10(3)18-14(23)12-7-11-9(2)20-22(5)16(11)25-12/h7-8,10,17H,6H2,1-5H3,(H,18,23)
InChIKeyOTQUWOPEEIKUBS-UHFFFAOYSA-N
XLogP1.97
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclohexyl-3-methyl-N-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698042
1-cyclohexyl-N-[(2R)-1-(2,5-dioxoimidazolidin-1-yl)propan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698050
1-cyclohexyl-3-methyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698112
1-cyclohexyl-N-[2-(3-ethyl-2,4-dioxoimidazolidin-1-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698124
1-cyclohexyl-N-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698132
1-cyclohexyl-N-[(2R)-1-(2,5-dioxoimidazolidin-1-yl)butan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698165
1-cyclohexyl-N-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698176
1-cyclohexyl-N-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698203
1-cyclohexyl-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698246
1-cyclohexyl-3-methyl-N-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698254
1-cyclohexyl-N-[3-(2,5-dioxoimidazolidin-1-yl)-2,2-dimethylpropyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698261
N-[(3-{3-Methyl-1-phenyl-1H-thieno[2,3-C]pyrazol-5-YL}-1,2,4-oxadiazol-5-YL)methyl]thiophene-2-carboxamide
CID 46334988

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 120867138) is 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide is CNC(C)Cc1noc(C(C)NC(=O)c2cc3c(C)nn(C)c3s2)n1.
What is the InChIKey of 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is OTQUWOPEEIKUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-8(17-4)6-13-19-15(24-21-13)10(3)18-14(23)12-7-11-9(2)20-22(5)16(11)25-12/h7-8,10,17H,6H2,1-5H3,(H,18,23).
What are the key properties of 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 120867138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).