3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C20H19N3O4S — CID 3239255

IUPAC3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-23-20-14(10-17(28-20)19(24)21-11-13-5-4-8-27-13)18(22-23)12-6-7-15(25-2)16(9-12)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyMLLILHXTVAOJDQ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.84
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3239255) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3239255
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-23-20-14(10-17(28-20)19(24)21-11-13-5-4-8-27-13)18(22-23)12-6-7-15(25-2)16(9-12)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyMLLILHXTVAOJDQ-UHFFFAOYSA-N
XLogP3.84
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(diethylamino)propyl]-3-(3,4-dimethoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856332
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 42845914
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20857544
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305037
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42879371
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 2002814
2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 16957015
3-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008870
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 3239255) is 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MLLILHXTVAOJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-23-20-14(10-17(28-20)19(24)21-11-13-5-4-8-27-13)18(22-23)12-6-7-15(25-2)16(9-12)26-3/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3239255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).