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

C20H18N4OS — CID 663824

IUPAC3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)NCc3cccnc3)sc21
InChIInChI=1S/C20H18N4OS/c1-13-6-3-4-8-17(13)24-20-16(14(2)23-24)10-18(26-20)19(25)22-12-15-7-5-9-21-11-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyIWAUERFHEPZPOP-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.03
Rot. Bonds4

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

3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 663824) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID663824
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)NCc3cccnc3)sc21
InChIInChI=1S/C20H18N4OS/c1-13-6-3-4-8-17(13)24-20-16(14(2)23-24)10-18(26-20)19(25)22-12-15-7-5-9-21-11-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyIWAUERFHEPZPOP-UHFFFAOYSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 663824) is 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3cccnc3)sc21.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IWAUERFHEPZPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-6-3-4-8-17(13)24-20-16(14(2)23-24)10-18(26-20)19(25)22-12-15-7-5-9-21-11-15/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 663824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).