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3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide

C19H27N5O3 — CID 110091516

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
SMILESCC(=O)N1CCC(c2cc3nc(C)c(CCC(=O)NC(C)C)c(=O)n3[nH]2)C1
InChIInChI=1S/C19H27N5O3/c1-11(2)20-18(26)6-5-15-12(3)21-17-9-16(22-24(17)19(15)27)14-7-8-23(10-14)13(4)25/h9,11,14,22H,5-8,10H2,1-4H3,(H,20,26)
InChIKeyBYYARAIDHYTYMK-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.12
Rot. Bonds5

About 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide

3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (PubChem CID 110091516) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
PubChem CID110091516
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
SMILESCC(=O)N1CCC(c2cc3nc(C)c(CCC(=O)NC(C)C)c(=O)n3[nH]2)C1
InChIInChI=1S/C19H27N5O3/c1-11(2)20-18(26)6-5-15-12(3)21-17-9-16(22-24(17)19(15)27)14-7-8-23(10-14)13(4)25/h9,11,14,22H,5-8,10H2,1-4H3,(H,20,26)
InChIKeyBYYARAIDHYTYMK-UHFFFAOYSA-N
XLogP1.12
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (CID 110091516) is 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is CC(=O)N1CCC(c2cc3nc(C)c(CCC(=O)NC(C)C)c(=O)n3[nH]2)C1.
What is the InChIKey of 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The InChIKey is BYYARAIDHYTYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-11(2)20-18(26)6-5-15-12(3)21-17-9-16(22-24(17)19(15)27)14-7-8-23(10-14)13(4)25/h9,11,14,22H,5-8,10H2,1-4H3,(H,20,26).
What are the key properties of 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide has a molecular weight of 373.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 110091516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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