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

C14H12ClN5O — CID 7313808

IUPAC3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(C)n2[nH]c(=O)c(/N=N/c3cccc(Cl)c3)c2n1
InChIInChI=1S/C14H12ClN5O/c1-8-6-9(2)20-13(16-8)12(14(21)19-20)18-17-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,19,21)/b18-17+
InChIKeyVIOLTJJTQCXMOC-ISLYRVAYSA-N
MW301.74 g/mol
LogP3.71
Rot. Bonds2

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

3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 7313808) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID7313808
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(C)n2[nH]c(=O)c(/N=N/c3cccc(Cl)c3)c2n1
InChIInChI=1S/C14H12ClN5O/c1-8-6-9(2)20-13(16-8)12(14(21)19-20)18-17-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,19,21)/b18-17+
InChIKeyVIOLTJJTQCXMOC-ISLYRVAYSA-N
XLogP3.71
TPSA74.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 7313808) is 3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1cc(C)n2[nH]c(=O)c(/N=N/c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is VIOLTJJTQCXMOC-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-8-6-9(2)20-13(16-8)12(14(21)19-20)18-17-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,19,21)/b18-17+.
What are the key properties of 3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 301.74 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 7313808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).