N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C22H19N3OS — CID 2308237

IUPACN-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1
InChIInChI=1S/C22H19N3OS/c1-2-24(17-10-5-3-6-11-17)22(26)19-16-25(18-12-7-4-8-13-18)23-21(19)20-14-9-15-27-20/h3-16H,2H2,1H3
InChIKeyXPAYCIZTBUSTHD-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.27
Rot. Bonds5

About N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2308237) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2308237
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1
InChIInChI=1S/C22H19N3OS/c1-2-24(17-10-5-3-6-11-17)22(26)19-16-25(18-12-7-4-8-13-18)23-21(19)20-14-9-15-27-20/h3-16H,2H2,1H3
InChIKeyXPAYCIZTBUSTHD-UHFFFAOYSA-N
XLogP5.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 42115461
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18226295
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 78769505
cyanomethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2579298
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 9339873

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2308237) is N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CCN(C(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1.
What is the InChIKey of N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is XPAYCIZTBUSTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-2-24(17-10-5-3-6-11-17)22(26)19-16-25(18-12-7-4-8-13-18)23-21(19)20-14-9-15-27-20/h3-16H,2H2,1H3.
What are the key properties of N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2308237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).