N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide

C21H26N6O2S — CID 68826959

IUPACN-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide
SMILESCCNC(=O)n1nc(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)c2sccc21
InChIInChI=1S/C21H26N6O2S/c1-3-22-21(29)27-17-9-14-30-18(17)19(24-27)23-20(28)15-5-7-16(8-6-15)26-12-10-25(4-2)11-13-26/h5-9,14H,3-4,10-13H2,1-2H3,(H,22,29)(H,23,24,28)
InChIKeyOXTHTPVBGOIMJD-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.07
Rot. Bonds5

About N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide

N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide (PubChem CID 68826959) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide
PubChem CID68826959
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC NameN-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide
SMILESCCNC(=O)n1nc(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)c2sccc21
InChIInChI=1S/C21H26N6O2S/c1-3-22-21(29)27-17-9-14-30-18(17)19(24-27)23-20(28)15-5-7-16(8-6-15)26-12-10-25(4-2)11-13-26/h5-9,14H,3-4,10-13H2,1-2H3,(H,22,29)(H,23,24,28)
InChIKeyOXTHTPVBGOIMJD-UHFFFAOYSA-N
XLogP3.07
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide with MolForge

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Related Compounds

methyl 1-[4-(4-methylpiperazin-1-yl)benzoyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-5-carboxylate
CID 68828468
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
CID 141458906
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043618
ethyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-1-carboxylate
CID 143531790
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
5-(4-ethylpiperazin-1-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 50782098
methyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 68825056

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide?
The IUPAC name of N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide (CID 68826959) is N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide?
The canonical SMILES for N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide is CCNC(=O)n1nc(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)c2sccc21.
What is the InChIKey of N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide?
The InChIKey is OXTHTPVBGOIMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-3-22-21(29)27-17-9-14-30-18(17)19(24-27)23-20(28)15-5-7-16(8-6-15)26-12-10-25(4-2)11-13-26/h5-9,14H,3-4,10-13H2,1-2H3,(H,22,29)(H,23,24,28).
What are the key properties of N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide?
N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide has a molecular weight of 426.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[4-(4-ethylpiperazin-1-yl)benzoyl]amino]thieno[3,2-c]pyrazole-1-carboxamide is sourced from PubChem (CID 68826959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).