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

C18H22Cl2N4O — CID 10571865

IUPAC1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCc1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N4O/c1-3-15-12(2)17(18(25)22-23-9-5-4-6-10-23)21-24(15)16-8-7-13(19)11-14(16)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,22,25)
InChIKeyZLXNNXGRPXLRSC-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.18
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 10571865) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID10571865
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCc1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N4O/c1-3-15-12(2)17(18(25)22-23-9-5-4-6-10-23)21-24(15)16-8-7-13(19)11-14(16)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,22,25)
InChIKeyZLXNNXGRPXLRSC-UHFFFAOYSA-N
XLogP4.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 10571865) is 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is CCc1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is ZLXNNXGRPXLRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-3-15-12(2)17(18(25)22-23-9-5-4-6-10-23)21-24(15)16-8-7-13(19)11-14(16)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,22,25).
What are the key properties of 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 10571865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).