1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide

C18H18ClN3OS — CID 3925878

IUPAC1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H18ClN3OS/c1-3-21(4-2)18(23)16-12-14(17-10-7-11-24-17)20-22(16)15-9-6-5-8-13(15)19/h5-12H,3-4H2,1-2H3
InChIKeyKNWHYMGWJFWTLR-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.74
Rot. Bonds5

About 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide

1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 3925878) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID3925878
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H18ClN3OS/c1-3-21(4-2)18(23)16-12-14(17-10-7-11-24-17)20-22(16)15-9-6-5-8-13(15)19/h5-12H,3-4H2,1-2H3
InChIKeyKNWHYMGWJFWTLR-UHFFFAOYSA-N
XLogP4.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761882
N-butyl-1-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59240495
1-(2-chlorophenyl)-3-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 4010733
5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide
CID 82188855
N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053760
1-(3,4-dichlorophenyl)-N-hexyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4537760
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761828
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7201673
1-(4-chlorophenyl)-N-ethoxy-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761829
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
[2-(2-chloroanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 18274055

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 3925878) is 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCN(CC)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is KNWHYMGWJFWTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-3-21(4-2)18(23)16-12-14(17-10-7-11-24-17)20-22(16)15-9-6-5-8-13(15)19/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide?
1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 3925878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).