N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C22H19N3O2S — CID 2580293

IUPACN-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-2-27-20-12-7-6-11-17(20)23-22(26)19-15-18(21-13-8-14-28-21)24-25(19)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,23,26)
InChIKeyTWMZGJRZNRBHQZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.25
Rot. Bonds6

About N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 2580293) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID2580293
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-2-27-20-12-7-6-11-17(20)23-22(26)19-15-18(21-13-8-14-28-21)24-25(19)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,23,26)
InChIKeyTWMZGJRZNRBHQZ-UHFFFAOYSA-N
XLogP5.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-diethoxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4787832
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
dimethyl 5-[(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 16552895
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16557769
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
1-(4-chlorophenyl)-N-ethoxy-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761829
N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076772
[2-(2-acetylanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503754
N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 7946021
[2-(2-chloroanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 18274055
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16550695
[2-(2-fluoroanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503828

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 2580293) is N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCOc1ccccc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is TWMZGJRZNRBHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-2-27-20-12-7-6-11-17(20)23-22(26)19-15-18(21-13-8-14-28-21)24-25(19)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,23,26).
What are the key properties of N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 2580293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).