5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21N5O4 — CID 46973392

IUPAC5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccccc4)c3n2)CC1=O
InChIInChI=1S/C20H21N5O4/c1-29-8-7-24-12-13(9-17(24)26)16-10-18(27)25-19(23-16)15(11-21-25)20(28)22-14-5-3-2-4-6-14/h2-6,10-11,13,21H,7-9,12H2,1H3,(H,22,28)
InChIKeyGLAXAXRXNXFACP-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.24
Rot. Bonds6

About 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46973392) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46973392
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccccc4)c3n2)CC1=O
InChIInChI=1S/C20H21N5O4/c1-29-8-7-24-12-13(9-17(24)26)16-10-18(27)25-19(23-16)15(11-21-25)20(28)22-14-5-3-2-4-6-14/h2-6,10-11,13,21H,7-9,12H2,1H3,(H,22,28)
InChIKeyGLAXAXRXNXFACP-UHFFFAOYSA-N
XLogP1.24
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46973392) is 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccccc4)c3n2)CC1=O.
What is the InChIKey of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GLAXAXRXNXFACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-29-8-7-24-12-13(9-17(24)26)16-10-18(27)25-19(23-16)15(11-21-25)20(28)22-14-5-3-2-4-6-14/h2-6,10-11,13,21H,7-9,12H2,1H3,(H,22,28).
What are the key properties of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46973392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).