3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H22N6O2 — CID 110216183

About 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216183) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 110216183
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: CCc1c(C)[nH]n2c(=O)cc(C3CCN(C(=O)c4ccn(C)n4)C3)nc12
• InChI: InChI=1S/C18H22N6O2/c1-4-13-11(2)20-24-16(25)9-15(19-17(13)24)12-5-8-23(10-12)18(26)14-6-7-22(3)21-14/h6-7,9,12,20H,4-5,8,10H2,1-3H3
• InChIKey: WGNOBDZRXNXXBS-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 88.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216183) is 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)[nH]n2c(=O)cc(C3CCN(C(=O)c4ccn(C)n4)C3)nc12.

What is the InChIKey of 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is WGNOBDZRXNXXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-4-13-11(2)20-24-16(25)9-15(19-17(13)24)12-5-8-23(10-12)18(26)14-6-7-22(3)21-14/h6-7,9,12,20H,4-5,8,10H2,1-3H3.

What are the key properties of 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?

3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.41 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).