N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide

C19H15F2N3OS2 — CID 55887371

IUPACN-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(Cc3cccs3)c3ccc(F)cc3F)cc12
InChIInChI=1S/C19H15F2N3OS2/c1-11-14-9-17(27-19(14)23(2)22-11)18(25)24(10-13-4-3-7-26-13)16-6-5-12(20)8-15(16)21/h3-9H,10H2,1-2H3
InChIKeyNVFJOVPSSJGLLH-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.13
Rot. Bonds4

About N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55887371) has the molecular formula C19H15F2N3OS2 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55887371
Molecular FormulaC19H15F2N3OS2
Molecular Weight403.48 g/mol
Exact Mass403.06
IUPAC NameN-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(Cc3cccs3)c3ccc(F)cc3F)cc12
InChIInChI=1S/C19H15F2N3OS2/c1-11-14-9-17(27-19(14)23(2)22-11)18(25)24(10-13-4-3-7-26-13)16-6-5-12(20)8-15(16)21/h3-9H,10H2,1-2H3
InChIKeyNVFJOVPSSJGLLH-UHFFFAOYSA-N
XLogP5.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18169936
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60598745
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-N-pentylthieno[3,2-d]pyrazole-5-carboxamide
CID 55495175
4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60533915
N-[(5-chlorothiophen-2-yl)methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305145
N-(2,4-difluorophenyl)-1-methyl-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55887242
N-(2,4-difluorophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 75526110
N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 61233617
[2-(2,5-difluorophenyl)-2-oxoethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 30179966
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 17498389
3-(4-acetamidophenyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 76866308

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 55887371) is N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)N(Cc3cccs3)c3ccc(F)cc3F)cc12.
What is the InChIKey of N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is NVFJOVPSSJGLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3OS2/c1-11-14-9-17(27-19(14)23(2)22-11)18(25)24(10-13-4-3-7-26-13)16-6-5-12(20)8-15(16)21/h3-9H,10H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55887371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).