[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine

C13H16F2N4 — CID 105304935

IUPAC[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)c(C)c1C(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N4/c1-7-12(8(2)19(3)18-7)13(17-16)9-4-5-10(14)11(15)6-9/h4-6,13,17H,16H2,1-3H3
InChIKeyVYKBXMDRBCXGSQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.87
Rot. Bonds3

About [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine

[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105304935) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
PubChem CID105304935
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)c(C)c1C(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N4/c1-7-12(8(2)19(3)18-7)13(17-16)9-4-5-10(14)11(15)6-9/h4-6,13,17H,16H2,1-3H3
InChIKeyVYKBXMDRBCXGSQ-UHFFFAOYSA-N
XLogP1.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine 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

[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105282920
[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105286716
[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105302308
[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105300373
[pyridin-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105287039
[(3,4-difluorophenyl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 107979097
[(5-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105318696
[(3,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756542
[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105322374
[(3,4-difluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208117
[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105193316
[(2,5-dimethylpyrazol-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292483

Frequently Asked Questions

What is the IUPAC name of [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (CID 105304935) is [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is Cc1nn(C)c(C)c1C(NN)c1ccc(F)c(F)c1.
What is the InChIKey of [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is VYKBXMDRBCXGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-7-12(8(2)19(3)18-7)13(17-16)9-4-5-10(14)11(15)6-9/h4-6,13,17H,16H2,1-3H3.
What are the key properties of [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 266.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105304935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).