4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide

C22H23ClN4O2 — CID 46334908

IUPAC4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
SMILESCC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C22H23ClN4O2/c1-13(2)24-22(29)17-7-11-19(12-8-17)27-21(25-15(4)28)20(14(3)26-27)16-5-9-18(23)10-6-16/h5-13H,1-4H3,(H,24,29)(H,25,28)
InChIKeyRDFZDJUZDAESQU-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.60
Rot. Bonds5

About 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide

4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide (PubChem CID 46334908) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
PubChem CID46334908
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
SMILESCC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C22H23ClN4O2/c1-13(2)24-22(29)17-7-11-19(12-8-17)27-21(25-15(4)28)20(14(3)26-27)16-5-9-18(23)10-6-16/h5-13H,1-4H3,(H,24,29)(H,25,28)
InChIKeyRDFZDJUZDAESQU-UHFFFAOYSA-N
XLogP4.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide (CID 46334908) is 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide is CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide?
The InChIKey is RDFZDJUZDAESQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-13(2)24-22(29)17-7-11-19(12-8-17)27-21(25-15(4)28)20(14(3)26-27)16-5-9-18(23)10-6-16/h5-13H,1-4H3,(H,24,29)(H,25,28).
What are the key properties of 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide?
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 410.91 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46334908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).