5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine

C38H32N12 — CID 139060875

IUPAC5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3ccccc3)nn2c(N)c1/N=N/c1ccccc1.Cc1nc2cc(-c3ccccc3)nn2c(N)c1/N=N/c1ccccc1
InChIInChI=1S/2C19H16N6/c2*1-13-18(23-22-15-10-6-3-7-11-15)19(20)25-17(21-13)12-16(24-25)14-8-4-2-5-9-14/h2*2-12H,20H2,1H3/b2*23-22+
InChIKeyVKRPZWFFDAIJTN-LMPRYKABSA-N
MW656.76 g/mol
LogP9.40
Rot. Bonds6

About 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 139060875) has the molecular formula C38H32N12 and a molecular weight of 656.76 g/mol. Its IUPAC name is 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID139060875
Molecular FormulaC38H32N12
Molecular Weight656.76 g/mol
Exact Mass656.29
IUPAC Name5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3ccccc3)nn2c(N)c1/N=N/c1ccccc1.Cc1nc2cc(-c3ccccc3)nn2c(N)c1/N=N/c1ccccc1
InChIInChI=1S/2C19H16N6/c2*1-13-18(23-22-15-10-6-3-7-11-15)19(20)25-17(21-13)12-16(24-25)14-8-4-2-5-9-14/h2*2-12H,20H2,1H3/b2*23-22+
InChIKeyVKRPZWFFDAIJTN-LMPRYKABSA-N
XLogP9.40
TPSA161.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500656.76
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 7204280
3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine
CID 137207496
(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270287
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
11-methyl-15-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,15-heptaene
CID 86075337
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276
5-methyl-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270537
1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine
CID 155398803
7-(4-fluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 12531785
7-methoxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;5-phenyl-1H-pyrazol-3-amine
CID 159722520
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
5,7-dimethyl-6-phenyldiazenyl-3-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 139233946

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 139060875) is 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2cc(-c3ccccc3)nn2c(N)c1/N=N/c1ccccc1.Cc1nc2cc(-c3ccccc3)nn2c(N)c1/N=N/c1ccccc1.
What is the InChIKey of 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VKRPZWFFDAIJTN-LMPRYKABSA-N. The full InChI is InChI=1S/2C19H16N6/c2*1-13-18(23-22-15-10-6-3-7-11-15)19(20)25-17(21-13)12-16(24-25)14-8-4-2-5-9-14/h2*2-12H,20H2,1H3/b2*23-22+.
What are the key properties of 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 656.76 g/mol, XLogP of 9.40, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 139060875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).