5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C20H19Cl3N4OS — CID 11583616

IUPAC5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1
InChIInChI=1S/C20H19Cl3N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
InChIKeyFHERKDAGTCJXFZ-UHFFFAOYSA-N
MW469.83 g/mol
LogP6.00
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 11583616) has the molecular formula C20H19Cl3N4OS and a molecular weight of 469.83 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID11583616
Molecular FormulaC20H19Cl3N4OS
Molecular Weight469.83 g/mol
Exact Mass468.03
IUPAC Name5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1
InChIInChI=1S/C20H19Cl3N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28)
InChIKeyFHERKDAGTCJXFZ-UHFFFAOYSA-N
XLogP6.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.83
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 11583616) is 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is FHERKDAGTCJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N4OS/c1-12-18(20(28)25-26-9-3-2-4-10-26)24-27(15-6-5-13(21)11-14(15)22)19(12)16-7-8-17(23)29-16/h5-8,11H,2-4,9-10H2,1H3,(H,25,28).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 469.83 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11583616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).