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

C23H24Cl2N4O3 — CID 44545224

IUPAC5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
SMILESCOc1ccc(C2C(C(N)=O)C(C(=O)NC3CCCC3)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H24Cl2N4O3/c1-32-16-9-6-13(7-10-16)21-19(22(26)30)20(23(31)27-15-4-2-3-5-15)28-29(21)18-11-8-14(24)12-17(18)25/h6-12,15,19,21H,2-5H2,1H3,(H2,26,30)(H,27,31)
InChIKeyIJYAHSNQDDJYBS-UHFFFAOYSA-N
MW475.38 g/mol
LogP4.08
Rot. Bonds6

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

5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide (PubChem CID 44545224) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
PubChem CID44545224
Molecular FormulaC23H24Cl2N4O3
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide
SMILESCOc1ccc(C2C(C(N)=O)C(C(=O)NC3CCCC3)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H24Cl2N4O3/c1-32-16-9-6-13(7-10-16)21-19(22(26)30)20(23(31)27-15-4-2-3-5-15)28-29(21)18-11-8-14(24)12-17(18)25/h6-12,15,19,21H,2-5H2,1H3,(H2,26,30)(H,27,31)
InChIKeyIJYAHSNQDDJYBS-UHFFFAOYSA-N
XLogP4.08
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The IUPAC name of 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide (CID 44545224) is 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide is COc1ccc(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-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
The InChIKey is IJYAHSNQDDJYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c1-32-16-9-6-13(7-10-16)21-19(22(26)30)20(23(31)27-15-4-2-3-5-15)28-29(21)18-11-8-14(24)12-17(18)25/h6-12,15,19,21H,2-5H2,1H3,(H2,26,30)(H,27,31).
What are the key properties of 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide?
5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide has a molecular weight of 475.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-4,5-dicarboxamide is sourced from PubChem (CID 44545224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).