3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine

C16H15N5 — CID 3112358

IUPAC3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1
InChIInChI=1S/C16H15N5/c1-12-15(19-18-13-8-4-2-5-9-13)16(17)21(20-12)14-10-6-3-7-11-14/h2-11H,17H2,1H3/b19-18+
InChIKeyQNSMVLOQZAGVIA-VHEBQXMUSA-N
MW277.33 g/mol
LogP4.18
Rot. Bonds3

About 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine

3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine (PubChem CID 3112358) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine
PubChem CID3112358
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1
InChIInChI=1S/C16H15N5/c1-12-15(19-18-13-8-4-2-5-9-13)16(17)21(20-12)14-10-6-3-7-11-14/h2-11H,17H2,1H3/b19-18+
InChIKeyQNSMVLOQZAGVIA-VHEBQXMUSA-N
XLogP4.18
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.18
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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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
ML297
CID 56642816
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine?
The IUPAC name of 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine (CID 3112358) is 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine?
The canonical SMILES for 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine is Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1.
What is the InChIKey of 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine?
The InChIKey is QNSMVLOQZAGVIA-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N5/c1-12-15(19-18-13-8-4-2-5-9-13)16(17)21(20-12)14-10-6-3-7-11-14/h2-11H,17H2,1H3/b19-18+.
What are the key properties of 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine?
3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine has a molecular weight of 277.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4-phenyldiazenylpyrazol-5-amine is sourced from PubChem (CID 3112358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).