1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C25H25ClN4O2S — CID 16552634

IUPAC1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1
InChIInChI=1S/C25H25ClN4O2S/c1-3-29(16-23(31)27-14-18-9-11-20(26)12-10-18)24(32)22-13-21-17(2)28-30(25(21)33-22)15-19-7-5-4-6-8-19/h4-13H,3,14-16H2,1-2H3,(H,27,31)
InChIKeySTQLMLALBAGCBU-UHFFFAOYSA-N
MW481.02 g/mol
LogP4.89
Rot. Bonds8

About 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 16552634) has the molecular formula C25H25ClN4O2S and a molecular weight of 481.02 g/mol. Its IUPAC name is 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID16552634
Molecular FormulaC25H25ClN4O2S
Molecular Weight481.02 g/mol
Exact Mass480.14
IUPAC Name1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1
InChIInChI=1S/C25H25ClN4O2S/c1-3-29(16-23(31)27-14-18-9-11-20(26)12-10-18)24(32)22-13-21-17(2)28-30(25(21)33-22)15-19-7-5-4-6-8-19/h4-13H,3,14-16H2,1-2H3,(H,27,31)
InChIKeySTQLMLALBAGCBU-UHFFFAOYSA-N
XLogP4.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.02
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2458708
1-[(4-chlorophenyl)methyl]-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27833135
1-[(4-chlorophenyl)methyl]-N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 137309628
1-benzyl-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylthieno[3,2-d]pyrazole-5-carboxamide
CID 38676792
1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 4985598
1-benzyl-N-[4-(diethylamino)-4-oxobutyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112842193
1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 27783776
[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16542085
1-benzyl-N-[2-(diethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17442326
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
N-(2-acetamidoethyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740674
1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 27647797

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 16552634) is 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1.
What is the InChIKey of 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is STQLMLALBAGCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2S/c1-3-29(16-23(31)27-14-18-9-11-20(26)12-10-18)24(32)22-13-21-17(2)28-30(25(21)33-22)15-19-7-5-4-6-8-19/h4-13H,3,14-16H2,1-2H3,(H,27,31).
What are the key properties of 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 481.02 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 16552634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).