5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide

C22H19Cl5N4O — CID 24881410

IUPAC5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Cl5N4O/c1-12-19(22(32)29-30-7-3-2-4-8-30)28-31(21-17(26)10-14(24)11-18(21)27)20(12)15-6-5-13(23)9-16(15)25/h5-6,9-11H,2-4,7-8H2,1H3,(H,29,32)
InChIKeyDRSVDVXAHLCBSY-UHFFFAOYSA-N
MW532.69 g/mol
LogP7.25
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide

5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (PubChem CID 24881410) has the molecular formula C22H19Cl5N4O and a molecular weight of 532.69 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
PubChem CID24881410
Molecular FormulaC22H19Cl5N4O
Molecular Weight532.69 g/mol
Exact Mass530.00
IUPAC Name5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Cl5N4O/c1-12-19(22(32)29-30-7-3-2-4-8-30)28-31(21-17(26)10-14(24)11-18(21)27)20(12)15-6-5-13(23)9-16(15)25/h5-6,9-11H,2-4,7-8H2,1H3,(H,29,32)
InChIKeyDRSVDVXAHLCBSY-UHFFFAOYSA-N
XLogP7.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (CID 24881410) is 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is DRSVDVXAHLCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl5N4O/c1-12-19(22(32)29-30-7-3-2-4-8-30)28-31(21-17(26)10-14(24)11-18(21)27)20(12)15-6-5-13(23)9-16(15)25/h5-6,9-11H,2-4,7-8H2,1H3,(H,29,32).
What are the key properties of 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 532.69 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 24881410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).