1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide

C20H18N4OS — CID 2099780

IUPAC1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NCc3cccnc3)cc12
InChIInChI=1S/C20H18N4OS/c1-14-17-10-18(19(25)22-12-16-8-5-9-21-11-16)26-20(17)24(23-14)13-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyXQOSXSVJAUOUNG-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.78
Rot. Bonds5

About 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2099780) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2099780
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NCc3cccnc3)cc12
InChIInChI=1S/C20H18N4OS/c1-14-17-10-18(19(25)22-12-16-8-5-9-21-11-16)26-20(17)24(23-14)13-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyXQOSXSVJAUOUNG-UHFFFAOYSA-N
XLogP3.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 2099780) is 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3cccnc3)cc12.
What is the InChIKey of 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XQOSXSVJAUOUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-14-17-10-18(19(25)22-12-16-8-5-9-21-11-16)26-20(17)24(23-14)13-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2099780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).