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

C22H28N6O2 — CID 45199858

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 45199858) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 45199858
• Molecular Formula: C22H28N6O2
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.23
• IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
• SMILES: CCN1CCCC1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C
• InChI: InChI=1S/C22H28N6O2/c1-4-27-11-5-7-16(27)13-24-21(29)17-14-25-28(20(17)15(2)3)22-23-10-9-18(26-22)19-8-6-12-30-19/h6,8-10,12,14-16H,4-5,7,11,13H2,1-3H3,(H,24,29)
• InChIKey: JMKIPCJLHUDXNZ-UHFFFAOYSA-N
• XLogP: 3.26
• 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	408.51
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide (CID 45199858) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide.

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

The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide is CCN1CCCC1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C.

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

The InChIKey is JMKIPCJLHUDXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-4-27-11-5-7-16(27)13-24-21(29)17-14-25-28(20(17)15(2)3)22-23-10-9-18(26-22)19-8-6-12-30-19/h6,8-10,12,14-16H,4-5,7,11,13H2,1-3H3,(H,24,29).

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 45199858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).