5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C15H15N7O — CID 90104154

IUPAC5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1cc(Nc2nc(C3=CC=C3)nc3cn[nH]c23)cn1
InChIInChI=1S/C15H15N7O/c1-23-6-5-22-9-11(7-17-22)18-15-13-12(8-16-21-13)19-14(20-15)10-3-2-4-10/h2-4,7-9H,5-6H2,1H3,(H,16,21)(H,18,19,20)
InChIKeyFGVQEIZLEWJOCQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.89
Rot. Bonds6

About 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90104154) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90104154
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1cc(Nc2nc(C3=CC=C3)nc3cn[nH]c23)cn1
InChIInChI=1S/C15H15N7O/c1-23-6-5-22-9-11(7-17-22)18-15-13-12(8-16-21-13)19-14(20-15)10-3-2-4-10/h2-4,7-9H,5-6H2,1H3,(H,16,21)(H,18,19,20)
InChIKeyFGVQEIZLEWJOCQ-UHFFFAOYSA-N
XLogP1.89
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90104154) is 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is COCCn1cc(Nc2nc(C3=CC=C3)nc3cn[nH]c23)cn1.
What is the InChIKey of 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FGVQEIZLEWJOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-23-6-5-22-9-11(7-17-22)18-15-13-12(8-16-21-13)19-14(20-15)10-3-2-4-10/h2-4,7-9H,5-6H2,1H3,(H,16,21)(H,18,19,20).
What are the key properties of 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 309.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutadienyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90104154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).