1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide

C26H27ClN4O2S — CID 27783776

IUPAC1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c(C)c1
InChIInChI=1S/C26H27ClN4O2S/c1-15-10-16(2)24(17(3)11-15)28-23(32)14-30(5)25(33)22-12-21-18(4)29-31(26(21)34-22)13-19-6-8-20(27)9-7-19/h6-12H,13-14H2,1-5H3,(H,28,32)
InChIKeyGPCBGUWPWBPPRD-UHFFFAOYSA-N
MW495.05 g/mol
LogP5.74
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide

1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 27783776) has the molecular formula C26H27ClN4O2S and a molecular weight of 495.05 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID27783776
Molecular FormulaC26H27ClN4O2S
Molecular Weight495.05 g/mol
Exact Mass494.15
IUPAC Name1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c(C)c1
InChIInChI=1S/C26H27ClN4O2S/c1-15-10-16(2)24(17(3)11-15)28-23(32)14-30(5)25(33)22-12-21-18(4)29-31(26(21)34-22)13-19-6-8-20(27)9-7-19/h6-12H,13-14H2,1-5H3,(H,28,32)
InChIKeyGPCBGUWPWBPPRD-UHFFFAOYSA-N
XLogP5.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.05
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 4985598
1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16552634
1-[(4-chlorophenyl)methyl]-N-[4-(dimethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 34546638
1-[(4-chlorophenyl)methyl]-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9327444
1-[(4-chlorophenyl)methyl]-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27833135
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 35036040
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
N-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119406494
1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119551871
1-[(4-chlorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8762600

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 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) is 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)c(C)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GPCBGUWPWBPPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2S/c1-15-10-16(2)24(17(3)11-15)28-23(32)14-30(5)25(33)22-12-21-18(4)29-31(26(21)34-22)13-19-6-8-20(27)9-7-19/h6-12H,13-14H2,1-5H3,(H,28,32).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 495.05 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 27783776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).