1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

C22H28N4OS — CID 78875231

IUPAC1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCc3ccccc3CN3CCC(C)CC3)cc12
InChIInChI=1S/C22H28N4OS/c1-15-8-10-26(11-9-15)14-18-7-5-4-6-17(18)13-23-21(27)20-12-19-16(2)24-25(3)22(19)28-20/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27)
InChIKeyFVPXESLOIHOQMH-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.11
Rot. Bonds5

About 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 78875231) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID78875231
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCc3ccccc3CN3CCC(C)CC3)cc12
InChIInChI=1S/C22H28N4OS/c1-15-8-10-26(11-9-15)14-18-7-5-4-6-17(18)13-23-21(27)20-12-19-16(2)24-25(3)22(19)28-20/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27)
InChIKeyFVPXESLOIHOQMH-UHFFFAOYSA-N
XLogP4.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 51313394
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
N-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38135979
1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 55715573
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9050180
1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 78891140
4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338
N-[(2-fluorophenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9107251

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 78875231) is 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NCc3ccccc3CN3CCC(C)CC3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FVPXESLOIHOQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-15-8-10-26(11-9-15)14-18-7-5-4-6-17(18)13-23-21(27)20-12-19-16(2)24-25(3)22(19)28-20/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27).
What are the key properties of 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 78875231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).