5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide

C22H26N6O2 — CID 45166348

About 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide

5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 45166348) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
• PubChem CID: 45166348
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
• SMILES: CCN1CCCC1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1
• InChI: InChI=1S/C22H26N6O2/c1-2-27-11-3-5-16(27)13-24-21(29)17-14-25-28(20(17)15-7-8-15)22-23-10-9-18(26-22)19-6-4-12-30-19/h4,6,9-10,12,14-16H,2-3,5,7-8,11,13H2,1H3,(H,24,29)
• InChIKey: LOLBPQGDEBKGJN-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 89.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide (CID 45166348) is 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide is CCN1CCCC1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1.

What is the InChIKey of 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The InChIKey is LOLBPQGDEBKGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-2-27-11-3-5-16(27)13-24-21(29)17-14-25-28(20(17)15-7-8-15)22-23-10-9-18(26-22)19-6-4-12-30-19/h4,6,9-10,12,14-16H,2-3,5,7-8,11,13H2,1H3,(H,24,29).

What are the key properties of 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide?

5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 45166348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).