N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline

C9H7FN6 — CID 11840989

IUPACN-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline
SMILES[H]/N=c1\nn/c(=N\[H])c1=NNc1ccc(F)cc1
InChIInChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H/b11-8-,12-9-
InChIKeyXCDRRKZJZOYQRS-QAHSQZNUSA-N
MW218.20 g/mol
LogP-0.62
Rot. Bonds2

About N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline

N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline (PubChem CID 11840989) has the molecular formula C9H7FN6 and a molecular weight of 218.20 g/mol. Its IUPAC name is N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline
PubChem CID11840989
Molecular FormulaC9H7FN6
Molecular Weight218.20 g/mol
Exact Mass218.07
IUPAC NameN-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline
SMILES[H]/N=c1\nn/c(=N\[H])c1=NNc1ccc(F)cc1
InChIInChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H/b11-8-,12-9-
InChIKeyXCDRRKZJZOYQRS-QAHSQZNUSA-N
XLogP-0.62
TPSA97.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline?
The IUPAC name of N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline (CID 11840989) is N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline.
What is the SMILES notation for N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline?
The canonical SMILES for N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline is [H]/N=c1\nn/c(=N\[H])c1=NNc1ccc(F)cc1.
What is the InChIKey of N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline?
The InChIKey is XCDRRKZJZOYQRS-QAHSQZNUSA-N. The full InChI is InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H/b11-8-,12-9-.
What are the key properties of N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline?
N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline has a molecular weight of 218.20 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline is sourced from PubChem (CID 11840989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).