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

C21H19FN4O3S2 — CID 46476514

IUPAC1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccccc3NS(C)(=O)=O)cc12
InChIInChI=1S/C21H19FN4O3S2/c1-13-17-11-19(30-21(17)26(24-13)16-9-7-15(22)8-10-16)20(27)23-12-14-5-3-4-6-18(14)25-31(2,28)29/h3-11,25H,12H2,1-2H3,(H,23,27)
InChIKeyIYQBCWXSBLPDEJ-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.84
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 46476514) has the molecular formula C21H19FN4O3S2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID46476514
Molecular FormulaC21H19FN4O3S2
Molecular Weight458.54 g/mol
Exact Mass458.09
IUPAC Name1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccccc3NS(C)(=O)=O)cc12
InChIInChI=1S/C21H19FN4O3S2/c1-13-17-11-19(30-21(17)26(24-13)16-9-7-15(22)8-10-16)20(27)23-12-14-5-3-4-6-18(14)25-31(2,28)29/h3-11,25H,12H2,1-2H3,(H,23,27)
InChIKeyIYQBCWXSBLPDEJ-UHFFFAOYSA-N
XLogP3.84
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9107251
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
N-(3-aminobutyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119494763
N-(3-aminopropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119404788
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
1-(4-fluorophenyl)-3-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 33426862
1-(4-fluorophenyl)-3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 60544842
N-[2-[benzyl(ethyl)amino]ethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53020512
1-(4-fluorophenyl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46462449
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-(3-ethoxypropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24502697
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 46476514) is 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccccc3NS(C)(=O)=O)cc12.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IYQBCWXSBLPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S2/c1-13-17-11-19(30-21(17)26(24-13)16-9-7-15(22)8-10-16)20(27)23-12-14-5-3-4-6-18(14)25-31(2,28)29/h3-11,25H,12H2,1-2H3,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 46476514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).