[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine

C9H11FN6 — CID 80901964

IUPAC[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESCc1cc(C)n(-c2nc(NN)ncc2F)n1
InChIInChI=1S/C9H11FN6/c1-5-3-6(2)16(15-5)8-7(10)4-12-9(13-8)14-11/h3-4H,11H2,1-2H3,(H,12,13,14)
InChIKeyXLMKNDFWTGHLRK-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.70
Rot. Bonds2

About [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine

[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 80901964) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID80901964
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESCc1cc(C)n(-c2nc(NN)ncc2F)n1
InChIInChI=1S/C9H11FN6/c1-5-3-6(2)16(15-5)8-7(10)4-12-9(13-8)14-11/h3-4H,11H2,1-2H3,(H,12,13,14)
InChIKeyXLMKNDFWTGHLRK-UHFFFAOYSA-N
XLogP0.70
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine (CID 80901964) is [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine is Cc1cc(C)n(-c2nc(NN)ncc2F)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is XLMKNDFWTGHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c1-5-3-6(2)16(15-5)8-7(10)4-12-9(13-8)14-11/h3-4H,11H2,1-2H3,(H,12,13,14).
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 222.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80901964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).