1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine

C11H12F2N4 — CID 114253388

IUPAC1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine
SMILESCc1cc(Nc2c(F)cc(N)cc2F)nn1C
InChIInChI=1S/C11H12F2N4/c1-6-3-10(16-17(6)2)15-11-8(12)4-7(14)5-9(11)13/h3-5H,14H2,1-2H3,(H,15,16)
InChIKeyDIQDLWJZPAIQNL-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.33
Rot. Bonds2

About 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine

1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine (PubChem CID 114253388) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine
PubChem CID114253388
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine
SMILESCc1cc(Nc2c(F)cc(N)cc2F)nn1C
InChIInChI=1S/C11H12F2N4/c1-6-3-10(16-17(6)2)15-11-8(12)4-7(14)5-9(11)13/h3-5H,14H2,1-2H3,(H,15,16)
InChIKeyDIQDLWJZPAIQNL-UHFFFAOYSA-N
XLogP2.33
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,5-dimethylpyrazol-3-yl)-2-methylguanidine
CID 130496867
5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114253860
5-N-(1,5-dimethylpyrazol-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 114253390
5-amino-N-(1,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
CID 114253348
1-N-(5-bromo-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902992
(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523879
6-chloro-N-(1,5-dimethylpyrazol-3-yl)pyridazin-3-amine
CID 130496932
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
5-bromo-N-(1,5-dimethylpyrazol-3-yl)pyridin-3-amine
CID 130496929
2,6-difluoro-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 54902575
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
methyl 4-amino-3-[(1,5-dimethylpyrazol-3-yl)amino]benzoate
CID 114253861

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine (CID 114253388) is 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine is Cc1cc(Nc2c(F)cc(N)cc2F)nn1C.
What is the InChIKey of 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine?
The InChIKey is DIQDLWJZPAIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-6-3-10(16-17(6)2)15-11-8(12)4-7(14)5-9(11)13/h3-5H,14H2,1-2H3,(H,15,16).
What are the key properties of 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine?
1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine has a molecular weight of 238.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,5-dimethylpyrazol-3-yl)-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 114253388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).