3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

C24H24N4OS — CID 66819584

IUPAC3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C4CCNCC4)cc3)cc12
InChIInChI=1S/C24H24N4OS/c1-16-21-15-22(30-24(21)28(27-16)20-5-3-2-4-6-20)23(29)26-19-9-7-17(8-10-19)18-11-13-25-14-12-18/h2-10,15,18,25H,11-14H2,1H3,(H,26,29)
InChIKeyZVDFNQOGFVVCAZ-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.11
Rot. Bonds4

About 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 66819584) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID66819584
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C4CCNCC4)cc3)cc12
InChIInChI=1S/C24H24N4OS/c1-16-21-15-22(30-24(21)28(27-16)20-5-3-2-4-6-20)23(29)26-19-9-7-17(8-10-19)18-11-13-25-14-12-18/h2-10,15,18,25H,11-14H2,1H3,(H,26,29)
InChIKeyZVDFNQOGFVVCAZ-UHFFFAOYSA-N
XLogP5.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819577
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
N-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819477
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628
methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781823
3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1310840
3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119445953
1-(4-bromophenyl)-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3882124

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 66819584) is 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C4CCNCC4)cc3)cc12.
What is the InChIKey of 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZVDFNQOGFVVCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-16-21-15-22(30-24(21)28(27-16)20-5-3-2-4-6-20)23(29)26-19-9-7-17(8-10-19)18-11-13-25-14-12-18/h2-10,15,18,25H,11-14H2,1H3,(H,26,29).
What are the key properties of 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 66819584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).