3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

C14H13ClN6 — CID 7107457

IUPAC3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(N)c(/N=N/c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H13ClN6/c1-8-7-9(2)21-14(17-8)12(13(16)20-21)19-18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,20)/b19-18+
InChIKeyAFJLACUIYWFSSW-VHEBQXMUSA-N
MW300.75 g/mol
LogP4.00
Rot. Bonds2

About 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 7107457) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID7107457
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(N)c(/N=N/c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H13ClN6/c1-8-7-9(2)21-14(17-8)12(13(16)20-21)19-18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,20)/b19-18+
InChIKeyAFJLACUIYWFSSW-VHEBQXMUSA-N
XLogP4.00
TPSA80.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.00
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-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 7107457) is 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C)n2nc(N)c(/N=N/c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is AFJLACUIYWFSSW-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-8-7-9(2)21-14(17-8)12(13(16)20-21)19-18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,20)/b19-18+.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 300.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 7107457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).