1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C22H20FN3O2S — CID 2093497

IUPAC1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1
InChIInChI=1S/C22H20FN3O2S/c1-14-18-11-20(21(27)24-12-16-5-3-4-6-19(16)28-2)29-22(18)26(25-14)13-15-7-9-17(23)10-8-15/h3-11H,12-13H2,1-2H3,(H,24,27)
InChIKeyZDIIOUBKRSIUED-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.53
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2093497) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2093497
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1
InChIInChI=1S/C22H20FN3O2S/c1-14-18-11-20(21(27)24-12-16-5-3-4-6-19(16)28-2)29-22(18)26(25-14)13-15-7-9-17(23)10-8-15/h3-11H,12-13H2,1-2H3,(H,24,27)
InChIKeyZDIIOUBKRSIUED-UHFFFAOYSA-N
XLogP4.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 2093497) is 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZDIIOUBKRSIUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-14-18-11-20(21(27)24-12-16-5-3-4-6-19(16)28-2)29-22(18)26(25-14)13-15-7-9-17(23)10-8-15/h3-11H,12-13H2,1-2H3,(H,24,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2093497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).