N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide

C22H18F4N4O2S — CID 30862815

IUPACN-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2)NCc1ccc(F)cc1
InChIInChI=1S/C22H18F4N4O2S/c23-16-7-1-13(2-8-16)9-27-19(31)10-30-20(17-11-33-12-18(17)29-30)28-21(32)14-3-5-15(6-4-14)22(24,25)26/h1-8H,9-12H2,(H,27,31)(H,28,32)
InChIKeyYJDCZJLVRPMGSU-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.36
Rot. Bonds6

About N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide

N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 30862815) has the molecular formula C22H18F4N4O2S and a molecular weight of 478.47 g/mol. Its IUPAC name is N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID30862815
Molecular FormulaC22H18F4N4O2S
Molecular Weight478.47 g/mol
Exact Mass478.11
IUPAC NameN-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2)NCc1ccc(F)cc1
InChIInChI=1S/C22H18F4N4O2S/c23-16-7-1-13(2-8-16)9-27-19(31)10-30-20(17-11-33-12-18(17)29-30)28-21(32)14-3-5-15(6-4-14)22(24,25)26/h1-8H,9-12H2,(H,27,31)(H,28,32)
InChIKeyYJDCZJLVRPMGSU-UHFFFAOYSA-N
XLogP4.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
CID 30862862
2,4-difluoro-N-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862789
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 30862717
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-nitrofuran-2-carboxamide
CID 30862709
N-[2-[2-(benzylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methoxybenzamide
CID 30862726
N-benzyl-2-[3-[(2-methoxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
CID 30862680
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
3,4-dimethyl-N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 30862163
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 40868561
N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
CID 30862636
4-bromo-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4183394
2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30862561

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide (CID 30862815) is N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide is O=C(Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2)NCc1ccc(F)cc1.
What is the InChIKey of N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is YJDCZJLVRPMGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O2S/c23-16-7-1-13(2-8-16)9-27-19(31)10-30-20(17-11-33-12-18(17)29-30)28-21(32)14-3-5-15(6-4-14)22(24,25)26/h1-8H,9-12H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 478.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 30862815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).