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

C22H22Cl2N4O — CID 10646233

IUPAC1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)
InChIKeyORFZPLKMZALKSH-UHFFFAOYSA-N
MW429.35 g/mol
LogP5.29
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 10646233) has the molecular formula C22H22Cl2N4O and a molecular weight of 429.35 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID10646233
Molecular FormulaC22H22Cl2N4O
Molecular Weight429.35 g/mol
Exact Mass428.12
IUPAC Name1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)
InChIKeyORFZPLKMZALKSH-UHFFFAOYSA-N
XLogP5.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 55.29
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)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 10646233) is 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is ORFZPLKMZALKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29).
What are the key properties of 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 429.35 g/mol, XLogP of 5.29, 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)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 10646233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).