N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide

C23H23FN4OS — CID 69154348

IUPACN-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc2c(NCc3cccc(F)c3)[nH]nc2s1
InChIInChI=1S/C23H23FN4OS/c1-3-15-8-6-9-16(4-2)20(15)26-22(29)19-12-18-21(27-28-23(18)30-19)25-13-14-7-5-10-17(24)11-14/h5-12H,3-4,13H2,1-2H3,(H,26,29)(H2,25,27,28)
InChIKeyQBKJLZQTUXKLGQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.75
Rot. Bonds7

About N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 69154348) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID69154348
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC NameN-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc2c(NCc3cccc(F)c3)[nH]nc2s1
InChIInChI=1S/C23H23FN4OS/c1-3-15-8-6-9-16(4-2)20(15)26-22(29)19-12-18-21(27-28-23(18)30-19)25-13-14-7-5-10-17(24)11-14/h5-12H,3-4,13H2,1-2H3,(H,26,29)(H2,25,27,28)
InChIKeyQBKJLZQTUXKLGQ-UHFFFAOYSA-N
XLogP5.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399038
N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401518
N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398184
2-[(3-fluorophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571876
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399667
3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402006
4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206252
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
N-(4-chlorophenyl)-3-[(4-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400775

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 69154348) is N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc2c(NCc3cccc(F)c3)[nH]nc2s1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is QBKJLZQTUXKLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS/c1-3-15-8-6-9-16(4-2)20(15)26-22(29)19-12-18-21(27-28-23(18)30-19)25-13-14-7-5-10-17(24)11-14/h5-12H,3-4,13H2,1-2H3,(H,26,29)(H2,25,27,28).
What are the key properties of N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 69154348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).