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

C22H21N5O2 — CID 99696326

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

N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 99696326) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide
• PubChem CID: 99696326
• Molecular Formula: C22H21N5O2
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.17
• IUPAC Name: N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc(C(C)C)n(-c3ccccn3)n2)cc1-c1ncco1
• InChI: InChI=1S/C22H21N5O2/c1-14(2)19-13-18(26-27(19)20-6-4-5-9-23-20)21(28)25-16-8-7-15(3)17(12-16)22-24-10-11-29-22/h4-14H,1-3H3,(H,25,28)
• InChIKey: NMQPEXULMVXQJP-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide (CID 99696326) is N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(C)C)n(-c3ccccn3)n2)cc1-c1ncco1.

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

The InChIKey is NMQPEXULMVXQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(2)19-13-18(26-27(19)20-6-4-5-9-23-20)21(28)25-16-8-7-15(3)17(12-16)22-24-10-11-29-22/h4-14H,1-3H3,(H,25,28).

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

N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 99696326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).