1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide

C22H19ClN4O2 — CID 71910271

About 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 71910271) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 71910271
• Molecular Formula: C22H19ClN4O2
• Molecular Weight: 406.87 g/mol
• Exact Mass: 406.12
• IUPAC Name: 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)Nc2cccc(-c3ncco3)c2)cnn1-c1ccc(Cl)cc1
• InChI: InChI=1S/C22H19ClN4O2/c1-14(2)20-19(13-25-27(20)18-8-6-16(23)7-9-18)21(28)26-17-5-3-4-15(12-17)22-24-10-11-29-22/h3-14H,1-2H3,(H,26,28)
• InChIKey: LBDWYXGZDCZFCR-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.87
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 71910271) is 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2cccc(-c3ncco3)c2)cnn1-c1ccc(Cl)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is LBDWYXGZDCZFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14(2)20-19(13-25-27(20)18-8-6-16(23)7-9-18)21(28)26-17-5-3-4-15(12-17)22-24-10-11-29-22/h3-14H,1-2H3,(H,26,28).

What are the key properties of 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?

1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 71910271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).