(4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene

C12H13FN4 — CID 56696911

IUPAC(4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
SMILESCc1nn(C)c(C)c1/N=N/c1ccc(F)cc1
InChIInChI=1S/C12H13FN4/c1-8-12(9(2)17(3)16-8)15-14-11-6-4-10(13)5-7-11/h4-7H,1-3H3/b15-14+
InChIKeyKSXDIBMVXJNBQW-CCEZHUSRSA-N
MW232.26 g/mol
LogP3.59
Rot. Bonds2

About (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene

(4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene (PubChem CID 56696911) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene.

Molecular Properties

Compound Name(4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
PubChem CID56696911
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name(4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
SMILESCc1nn(C)c(C)c1/N=N/c1ccc(F)cc1
InChIInChI=1S/C12H13FN4/c1-8-12(9(2)17(3)16-8)15-14-11-6-4-10(13)5-7-11/h4-7H,1-3H3/b15-14+
InChIKeyKSXDIBMVXJNBQW-CCEZHUSRSA-N
XLogP3.59
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The IUPAC name of (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene (CID 56696911) is (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene.
What is the SMILES notation for (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The canonical SMILES for (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene is Cc1nn(C)c(C)c1/N=N/c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The InChIKey is KSXDIBMVXJNBQW-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-12(9(2)17(3)16-8)15-14-11-6-4-10(13)5-7-11/h4-7H,1-3H3/b15-14+.
What are the key properties of (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
(4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene has a molecular weight of 232.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene is sourced from PubChem (CID 56696911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).