2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine

C16H16N4 — CID 8852572

IUPAC2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine
SMILESCn1nc(Nc2ccccc2N)cc1-c1ccccc1
InChIInChI=1S/C16H16N4/c1-20-15(12-7-3-2-4-8-12)11-16(19-20)18-14-10-6-5-9-13(14)17/h2-11H,17H2,1H3,(H,18,19)
InChIKeyOISCTFZSTWZFEK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.41
Rot. Bonds3

About 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine

2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine (PubChem CID 8852572) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine
PubChem CID8852572
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine
SMILESCn1nc(Nc2ccccc2N)cc1-c1ccccc1
InChIInChI=1S/C16H16N4/c1-20-15(12-7-3-2-4-8-12)11-16(19-20)18-14-10-6-5-9-13(14)17/h2-11H,17H2,1H3,(H,18,19)
InChIKeyOISCTFZSTWZFEK-UHFFFAOYSA-N
XLogP3.41
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine (CID 8852572) is 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine is Cn1nc(Nc2ccccc2N)cc1-c1ccccc1.
What is the InChIKey of 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine?
The InChIKey is OISCTFZSTWZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20-15(12-7-3-2-4-8-12)11-16(19-20)18-14-10-6-5-9-13(14)17/h2-11H,17H2,1H3,(H,18,19).
What are the key properties of 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine?
2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methyl-5-phenylpyrazol-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 8852572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).