3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide

C22H23ClN4O2 — CID 11825758

IUPAC3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cc(C(=O)NCc2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c1-15(2)13-24-22(29)20-12-19(21(28)25-14-16-6-4-3-5-7-16)26-27(20)18-10-8-17(23)9-11-18/h3-12,15H,13-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyMNUWKNUZXPBPQU-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.84
Rot. Bonds7

About 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide

3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide (PubChem CID 11825758) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide
PubChem CID11825758
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cc(C(=O)NCc2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c1-15(2)13-24-22(29)20-12-19(21(28)25-14-16-6-4-3-5-7-16)26-27(20)18-10-8-17(23)9-11-18/h3-12,15H,13-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyMNUWKNUZXPBPQU-UHFFFAOYSA-N
XLogP3.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide (CID 11825758) is 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide is CC(C)CNC(=O)c1cc(C(=O)NCc2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide?
The InChIKey is MNUWKNUZXPBPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-15(2)13-24-22(29)20-12-19(21(28)25-14-16-6-4-3-5-7-16)26-27(20)18-10-8-17(23)9-11-18/h3-12,15H,13-14H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide?
3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 11825758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).