3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C24H24N4O2S — CID 67399771

IUPAC3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(NC(=O)c4ccc(C(C)(C)C)cc4)[nH]nc3s2)cc1
InChIInChI=1S/C24H24N4O2S/c1-14-5-11-17(12-6-14)25-22(30)19-13-18-20(27-28-23(18)31-19)26-21(29)15-7-9-16(10-8-15)24(2,3)4/h5-13H,1-4H3,(H,25,30)(H2,26,27,28,29)
InChIKeyZEBOHXGIHODXDW-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.73
Rot. Bonds4

About 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67399771) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67399771
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(NC(=O)c4ccc(C(C)(C)C)cc4)[nH]nc3s2)cc1
InChIInChI=1S/C24H24N4O2S/c1-14-5-11-17(12-6-14)25-22(30)19-13-18-20(27-28-23(18)31-19)26-21(29)15-7-9-16(10-8-15)24(2,3)4/h5-13H,1-4H3,(H,25,30)(H2,26,27,28,29)
InChIKeyZEBOHXGIHODXDW-UHFFFAOYSA-N
XLogP5.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399374
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402095
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
CID 163690008
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
N-[2-(4-fluorophenyl)propan-2-yl]-3-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66784959
N-[2-(4-methoxyphenyl)propan-2-yl]-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786078
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67399771) is 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc3c(NC(=O)c4ccc(C(C)(C)C)cc4)[nH]nc3s2)cc1.
What is the InChIKey of 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is ZEBOHXGIHODXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-14-5-11-17(12-6-14)25-22(30)19-13-18-20(27-28-23(18)31-19)26-21(29)15-7-9-16(10-8-15)24(2,3)4/h5-13H,1-4H3,(H,25,30)(H2,26,27,28,29).
What are the key properties of 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67399771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).