N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide

C18H19N5O2 — CID 41231661

IUPACN-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)C1CC1
InChIInChI=1S/C18H19N5O2/c24-17(14-6-7-14)19-8-9-23-16-15(10-21-23)18(25)22(12-20-16)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,24)
InChIKeyOVMXJQADOHZREA-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.17
Rot. Bonds6

About N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide

N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 41231661) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID41231661
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)C1CC1
InChIInChI=1S/C18H19N5O2/c24-17(14-6-7-14)19-8-9-23-16-15(10-21-23)18(25)22(12-20-16)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,24)
InChIKeyOVMXJQADOHZREA-UHFFFAOYSA-N
XLogP1.17
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide (CID 41231661) is N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide is O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)C1CC1.
What is the InChIKey of N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is OVMXJQADOHZREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(14-6-7-14)19-8-9-23-16-15(10-21-23)18(25)22(12-20-16)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,24).
What are the key properties of N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 41231661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).