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

C21H26N4OS — CID 51313394

IUPAC1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc12
InChIInChI=1S/C21H26N4OS/c1-15-18-12-19(27-21(18)24(2)23-15)20(26)22-13-16-6-8-17(9-7-16)14-25-10-4-3-5-11-25/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,22,26)
InChIKeyWNRKOAQLFZUREU-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.86
Rot. Bonds5

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

1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51313394) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51313394
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc12
InChIInChI=1S/C21H26N4OS/c1-15-18-12-19(27-21(18)24(2)23-15)20(26)22-13-16-6-8-17(9-7-16)14-25-10-4-3-5-11-25/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,22,26)
InChIKeyWNRKOAQLFZUREU-UHFFFAOYSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 24549522
1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 78875231
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129721
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-[(2,4-dichlorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26018814
5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 8546646
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 41311876
N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 17457035
N-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38135979
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119512490

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 51313394) is 1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WNRKOAQLFZUREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-15-18-12-19(27-21(18)24(2)23-15)20(26)22-13-16-6-8-17(9-7-16)14-25-10-4-3-5-11-25/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,22,26).
What are the key properties of 1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.86, 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-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51313394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).