5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide

C25H28Cl2N4O2 — CID 44545342

IUPAC5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
SMILESCC(C)c1ccc(C2C(C(N)=O)C(C(=O)NC3CCCC3)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H28Cl2N4O2/c1-14(2)15-7-9-16(10-8-15)23-21(24(28)32)22(25(33)29-18-5-3-4-6-18)30-31(23)20-12-11-17(26)13-19(20)27/h7-14,18,21,23H,3-6H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyDMGQYBOXAKABAU-UHFFFAOYSA-N
MW487.43 g/mol
LogP5.19
Rot. Bonds6

About 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide

5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide (PubChem CID 44545342) has the molecular formula C25H28Cl2N4O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
PubChem CID44545342
Molecular FormulaC25H28Cl2N4O2
Molecular Weight487.43 g/mol
Exact Mass486.16
IUPAC Name5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
SMILESCC(C)c1ccc(C2C(C(N)=O)C(C(=O)NC3CCCC3)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H28Cl2N4O2/c1-14(2)15-7-9-16(10-8-15)23-21(24(28)32)22(25(33)29-18-5-3-4-6-18)30-31(23)20-12-11-17(26)13-19(20)27/h7-14,18,21,23H,3-6H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyDMGQYBOXAKABAU-UHFFFAOYSA-N
XLogP5.19
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The IUPAC name of 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide (CID 44545342) is 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide is CC(C)c1ccc(C2C(C(N)=O)C(C(=O)NC3CCCC3)=NN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The InChIKey is DMGQYBOXAKABAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O2/c1-14(2)15-7-9-16(10-8-15)23-21(24(28)32)22(25(33)29-18-5-3-4-6-18)30-31(23)20-12-11-17(26)13-19(20)27/h7-14,18,21,23H,3-6H2,1-2H3,(H2,28,32)(H,29,33).
What are the key properties of 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide has a molecular weight of 487.43 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide is sourced from PubChem (CID 44545342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).