3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine

C20H17N5 — CID 3577468

IUPAC3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc2ccccc2c1
InChIInChI=1S/C20H17N5/c1-14-19(20(21)25(24-14)18-9-3-2-4-10-18)23-22-17-12-11-15-7-5-6-8-16(15)13-17/h2-13H,21H2,1H3/b23-22+
InChIKeyULIKPOUUZVBUAI-GHVJWSGMSA-N
MW327.39 g/mol
LogP5.33
Rot. Bonds3

About 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine

3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine (PubChem CID 3577468) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine
PubChem CID3577468
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc2ccccc2c1
InChIInChI=1S/C20H17N5/c1-14-19(20(21)25(24-14)18-9-3-2-4-10-18)23-22-17-12-11-15-7-5-6-8-16(15)13-17/h2-13H,21H2,1H3/b23-22+
InChIKeyULIKPOUUZVBUAI-GHVJWSGMSA-N
XLogP5.33
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.33
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-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine (CID 3577468) is 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine is Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine?
The InChIKey is ULIKPOUUZVBUAI-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H17N5/c1-14-19(20(21)25(24-14)18-9-3-2-4-10-18)23-22-17-12-11-15-7-5-6-8-16(15)13-17/h2-13H,21H2,1H3/b23-22+.
What are the key properties of 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine?
3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine has a molecular weight of 327.39 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 3577468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).