diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium

C27H30N5O2S+ — CID 2329735

IUPACdiethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)/p+1
InChIKeyCLEJNLVRUMTEIS-UHFFFAOYSA-O
MW488.64 g/mol
LogP3.51
Rot. Bonds10

About diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium

diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium (PubChem CID 2329735) has the molecular formula C27H30N5O2S+ and a molecular weight of 488.64 g/mol. Its IUPAC name is diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium
PubChem CID2329735
Molecular FormulaC27H30N5O2S+
Molecular Weight488.64 g/mol
Exact Mass488.21
IUPAC Namediethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)/p+1
InChIKeyCLEJNLVRUMTEIS-UHFFFAOYSA-O
XLogP3.51
TPSA80.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium with MolForge

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Related Compounds

N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55812613
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 39043396
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24517109

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium (CID 2329735) is diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium?
The InChIKey is CLEJNLVRUMTEIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)/p+1.
What are the key properties of diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium?
diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium has a molecular weight of 488.64 g/mol, XLogP of 3.51, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium is sourced from PubChem (CID 2329735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).