6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide

C20H21F2N7O2 — CID 118061205

About 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide

6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 118061205) has the molecular formula C20H21F2N7O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 118061205
• Molecular Formula: C20H21F2N7O2
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.17
• IUPAC Name: 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide
• SMILES: Cn1cc(NC(=O)c2cccc(-n3cc(C(F)F)cn3)n2)c(N2CCC(C)(C)C2=O)n1
• InChI: InChI=1S/C20H21F2N7O2/c1-20(2)7-8-28(19(20)31)17-14(11-27(3)26-17)25-18(30)13-5-4-6-15(24-13)29-10-12(9-23-29)16(21)22/h4-6,9-11,16H,7-8H2,1-3H3,(H,25,30)
• InChIKey: MIIKHJINYNHTDH-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 97.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide (CID 118061205) is 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-n3cc(C(F)F)cn3)n2)c(N2CCC(C)(C)C2=O)n1.

What is the InChIKey of 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide?

The InChIKey is MIIKHJINYNHTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O2/c1-20(2)7-8-28(19(20)31)17-14(11-27(3)26-17)25-18(30)13-5-4-6-15(24-13)29-10-12(9-23-29)16(21)22/h4-6,9-11,16H,7-8H2,1-3H3,(H,25,30).

What are the key properties of 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide?

6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118061205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).