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

C21H18FN3O2S — CID 20857544

IUPAC3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
InChIInChI=1S/C21H18FN3O2S/c1-25-21-15(19(24-25)14-8-4-5-9-16(14)22)11-18(28-21)20(26)23-12-13-7-3-6-10-17(13)27-2/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyORMRXJSNUBFOEH-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.38
Rot. Bonds5

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

3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 20857544) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID20857544
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
InChIInChI=1S/C21H18FN3O2S/c1-25-21-15(19(24-25)14-8-4-5-9-16(14)22)11-18(28-21)20(26)23-12-13-7-3-6-10-17(13)27-2/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyORMRXJSNUBFOEH-UHFFFAOYSA-N
XLogP4.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46257706
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3239255
N-[(2-fluorophenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9107251
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55577361
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20857609
N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856297
2-(diethylamino)-N-[(2-methoxyphenyl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864501
N-[3-(diethylamino)propyl]-3-(3,4-dimethoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856332
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757504

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 20857544) is 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccccc1CNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ORMRXJSNUBFOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-25-21-15(19(24-25)14-8-4-5-9-16(14)22)11-18(28-21)20(26)23-12-13-7-3-6-10-17(13)27-2/h3-11H,12H2,1-2H3,(H,23,26).
What are the key properties of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 20857544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).