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

C23H21ClN4O2S — CID 67399038

IUPAC3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc2c(NC(=O)c3cccc(Cl)c3)[nH]nc2s1
InChIInChI=1S/C23H21ClN4O2S/c1-3-13-7-5-8-14(4-2)19(13)25-22(30)18-12-17-20(27-28-23(17)31-18)26-21(29)15-9-6-10-16(24)11-15/h5-12H,3-4H2,1-2H3,(H,25,30)(H2,26,27,28,29)
InChIKeyQEESPHWXSGEUCK-UHFFFAOYSA-N
MW452.97 g/mol
LogP5.91
Rot. Bonds6

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

3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67399038) has the molecular formula C23H21ClN4O2S and a molecular weight of 452.97 g/mol. Its IUPAC name is 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67399038
Molecular FormulaC23H21ClN4O2S
Molecular Weight452.97 g/mol
Exact Mass452.11
IUPAC Name3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc2c(NC(=O)c3cccc(Cl)c3)[nH]nc2s1
InChIInChI=1S/C23H21ClN4O2S/c1-3-13-7-5-8-14(4-2)19(13)25-22(30)18-12-17-20(27-28-23(17)31-18)26-21(29)15-9-6-10-16(24)11-15/h5-12H,3-4H2,1-2H3,(H,25,30)(H2,26,27,28,29)
InChIKeyQEESPHWXSGEUCK-UHFFFAOYSA-N
XLogP5.91
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.97
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-3-[(3-fluorophenyl)methylamino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 69154348
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399374
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399771
3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
CID 67399160
N-[(2-methylphenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399960
5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid
CID 110483619
N-[(2-chlorophenyl)methyl]-3-(1,3-thiazole-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400849
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399667

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67399038) is 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc2c(NC(=O)c3cccc(Cl)c3)[nH]nc2s1.
What is the InChIKey of 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is QEESPHWXSGEUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2S/c1-3-13-7-5-8-14(4-2)19(13)25-22(30)18-12-17-20(27-28-23(17)31-18)26-21(29)15-9-6-10-16(24)11-15/h5-12H,3-4H2,1-2H3,(H,25,30)(H2,26,27,28,29).
What are the key properties of 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 452.97 g/mol, XLogP of 5.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67399038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).