4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine

C16H14ClN5 — CID 4098423

IUPAC4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN5/c1-11-15(20-19-13-7-5-6-12(17)10-13)16(18)22(21-11)14-8-3-2-4-9-14/h2-10H,18H2,1H3/b20-19+
InChIKeyUJFTXHWTFLBJTP-FMQUCBEESA-N
MW311.78 g/mol
LogP4.83
Rot. Bonds3

About 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine

4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine (PubChem CID 4098423) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine
PubChem CID4098423
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN5/c1-11-15(20-19-13-7-5-6-12(17)10-13)16(18)22(21-11)14-8-3-2-4-9-14/h2-10H,18H2,1H3/b20-19+
InChIKeyUJFTXHWTFLBJTP-FMQUCBEESA-N
XLogP4.83
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 54.83
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 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine (CID 4098423) is 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine is Cc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The InChIKey is UJFTXHWTFLBJTP-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14ClN5/c1-11-15(20-19-13-7-5-6-12(17)10-13)16(18)22(21-11)14-8-3-2-4-9-14/h2-10H,18H2,1H3/b20-19+.
What are the key properties of 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine has a molecular weight of 311.78 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 4098423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).