2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H24N4O2 — CID 110223244

IUPAC2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3C=CCN3C(=O)C(C)(C)C)[nH]n2c1=O
InChIInChI=1S/C18H24N4O2/c1-6-12-11(2)19-15-10-13(20-22(15)16(12)23)14-8-7-9-21(14)17(24)18(3,4)5/h7-8,10,14,20H,6,9H2,1-5H3
InChIKeyUGDRXWUJLAKNRL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.38
Rot. Bonds2

About 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110223244) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110223244
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3C=CCN3C(=O)C(C)(C)C)[nH]n2c1=O
InChIInChI=1S/C18H24N4O2/c1-6-12-11(2)19-15-10-13(20-22(15)16(12)23)14-8-7-9-21(14)17(24)18(3,4)5/h7-8,10,14,20H,6,9H2,1-5H3
InChIKeyUGDRXWUJLAKNRL-UHFFFAOYSA-N
XLogP2.38
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110223244) is 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3C=CCN3C(=O)C(C)(C)C)[nH]n2c1=O.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UGDRXWUJLAKNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-6-12-11(2)19-15-10-13(20-22(15)16(12)23)14-8-7-9-21(14)17(24)18(3,4)5/h7-8,10,14,20H,6,9H2,1-5H3.
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 328.42 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)-2,5-dihydropyrrol-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110223244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).