3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

C16H17N5O2 — CID 7313807

IUPAC3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCCOc1ccc(/N=N/c2c(=O)[nH]n3c(C)cc(C)nc23)cc1
InChIInChI=1S/C16H17N5O2/c1-4-23-13-7-5-12(6-8-13)18-19-14-15-17-10(2)9-11(3)21(15)20-16(14)22/h5-9H,4H2,1-3H3,(H,20,22)/b19-18+
InChIKeyZBZLHYBHPORVTP-VHEBQXMUSA-N
MW311.35 g/mol
LogP3.45
Rot. Bonds4

About 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 7313807) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID7313807
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCCOc1ccc(/N=N/c2c(=O)[nH]n3c(C)cc(C)nc23)cc1
InChIInChI=1S/C16H17N5O2/c1-4-23-13-7-5-12(6-8-13)18-19-14-15-17-10(2)9-11(3)21(15)20-16(14)22/h5-9H,4H2,1-3H3,(H,20,22)/b19-18+
InChIKeyZBZLHYBHPORVTP-VHEBQXMUSA-N
XLogP3.45
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 7313807) is 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is CCOc1ccc(/N=N/c2c(=O)[nH]n3c(C)cc(C)nc23)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is ZBZLHYBHPORVTP-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-23-13-7-5-12(6-8-13)18-19-14-15-17-10(2)9-11(3)21(15)20-16(14)22/h5-9H,4H2,1-3H3,(H,20,22)/b19-18+.
What are the key properties of 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 311.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 7313807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).