2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide

C25H29Cl2N5O2 — CID 44545346

IUPAC2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
SMILESCC(C)c1ccc(C2C(C(N)=O)C(C(=O)NN3CCCCC3)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H29Cl2N5O2/c1-15(2)16-6-8-17(9-7-16)23-21(24(28)33)22(25(34)30-31-12-4-3-5-13-31)29-32(23)20-11-10-18(26)14-19(20)27/h6-11,14-15,21,23H,3-5,12-13H2,1-2H3,(H2,28,33)(H,30,34)
InChIKeyOWNIWQYQYASRRW-UHFFFAOYSA-N
MW502.45 g/mol
LogP4.65
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide

2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide (PubChem CID 44545346) has the molecular formula C25H29Cl2N5O2 and a molecular weight of 502.45 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
PubChem CID44545346
Molecular FormulaC25H29Cl2N5O2
Molecular Weight502.45 g/mol
Exact Mass501.17
IUPAC Name2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
SMILESCC(C)c1ccc(C2C(C(N)=O)C(C(=O)NN3CCCCC3)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H29Cl2N5O2/c1-15(2)16-6-8-17(9-7-16)23-21(24(28)33)22(25(34)30-31-12-4-3-5-13-31)29-32(23)20-11-10-18(26)14-19(20)27/h6-11,14-15,21,23H,3-5,12-13H2,1-2H3,(H2,28,33)(H,30,34)
InChIKeyOWNIWQYQYASRRW-UHFFFAOYSA-N
XLogP4.65
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide (CID 44545346) is 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide is CC(C)c1ccc(C2C(C(N)=O)C(C(=O)NN3CCCCC3)=NN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The InChIKey is OWNIWQYQYASRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N5O2/c1-15(2)16-6-8-17(9-7-16)23-21(24(28)33)22(25(34)30-31-12-4-3-5-13-31)29-32(23)20-11-10-18(26)14-19(20)27/h6-11,14-15,21,23H,3-5,12-13H2,1-2H3,(H2,28,33)(H,30,34).
What are the key properties of 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide has a molecular weight of 502.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-N-piperidin-1-yl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide is sourced from PubChem (CID 44545346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).