(3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene

C23H18N4 — CID 135604828

IUPAC(3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene
SMILESCc1[nH]n(-c2ccccc2)c2c3ccccc3c(/N=N/c3ccccc3)c1-2
InChIInChI=1S/C23H18N4/c1-16-21-22(25-24-17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21)27(26-16)18-12-6-3-7-13-18/h2-15,26H,1H3/b25-24+
InChIKeyFJPREHZAIPVYGX-OCOZRVBESA-N
MW350.43 g/mol
LogP6.79
Rot. Bonds3

About (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene

(3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene (PubChem CID 135604828) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene.

Molecular Properties

Compound Name(3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene
PubChem CID135604828
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name(3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene
SMILESCc1[nH]n(-c2ccccc2)c2c3ccccc3c(/N=N/c3ccccc3)c1-2
InChIInChI=1S/C23H18N4/c1-16-21-22(25-24-17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21)27(26-16)18-12-6-3-7-13-18/h2-15,26H,1H3/b25-24+
InChIKeyFJPREHZAIPVYGX-OCOZRVBESA-N
XLogP6.79
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene?
The IUPAC name of (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene (CID 135604828) is (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene.
What is the SMILES notation for (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene?
The canonical SMILES for (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene is Cc1[nH]n(-c2ccccc2)c2c3ccccc3c(/N=N/c3ccccc3)c1-2.
What is the InChIKey of (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene?
The InChIKey is FJPREHZAIPVYGX-OCOZRVBESA-N. The full InChI is InChI=1S/C23H18N4/c1-16-21-22(25-24-17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21)27(26-16)18-12-6-3-7-13-18/h2-15,26H,1H3/b25-24+.
What are the key properties of (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene?
(3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene has a molecular weight of 350.43 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenyl-2H-indeno[1,2-c]pyrazol-4-yl)-phenyldiazene is sourced from PubChem (CID 135604828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).