N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C20H19F2N5O2 — CID 38032304

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 38032304) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
• PubChem CID: 38032304
• Molecular Formula: C20H19F2N5O2
• Molecular Weight: 399.40 g/mol
• Exact Mass: 399.15
• IUPAC Name: N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cnn1-c1ccccn1
• InChI: InChI=1S/C20H19F2N5O2/c1-12(2)19-14(10-25-27(19)17-5-3-4-8-23-17)20(29)24-11-18(28)26-13-6-7-15(21)16(22)9-13/h3-10,12H,11H2,1-2H3,(H,24,29)(H,26,28)
• InChIKey: RAEGOPCDXDAEMJ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.40
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 38032304) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

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

The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cnn1-c1ccccn1.

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

The InChIKey is RAEGOPCDXDAEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-12(2)19-14(10-25-27(19)17-5-3-4-8-23-17)20(29)24-11-18(28)26-13-6-7-15(21)16(22)9-13/h3-10,12H,11H2,1-2H3,(H,24,29)(H,26,28).

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

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38032304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).