[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine

C11H14F2N6 — CID 7017806

IUPAC[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine
SMILESCCn1ncc(-c2cc(C(F)F)nc(NN)n2)c1C
InChIInChI=1S/C11H14F2N6/c1-3-19-6(2)7(5-15-19)8-4-9(10(12)13)17-11(16-8)18-14/h4-5,10H,3,14H2,1-2H3,(H,16,17,18)
InChIKeyMOMFYVUFKLBBBC-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.89
Rot. Bonds4

About [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine

[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine (PubChem CID 7017806) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine
PubChem CID7017806
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine
SMILESCCn1ncc(-c2cc(C(F)F)nc(NN)n2)c1C
InChIInChI=1S/C11H14F2N6/c1-3-19-6(2)7(5-15-19)8-4-9(10(12)13)17-11(16-8)18-14/h4-5,10H,3,14H2,1-2H3,(H,16,17,18)
InChIKeyMOMFYVUFKLBBBC-UHFFFAOYSA-N
XLogP1.89
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.89
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-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine (CID 7017806) is [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine is CCn1ncc(-c2cc(C(F)F)nc(NN)n2)c1C.
What is the InChIKey of [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is MOMFYVUFKLBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c1-3-19-6(2)7(5-15-19)8-4-9(10(12)13)17-11(16-8)18-14/h4-5,10H,3,14H2,1-2H3,(H,16,17,18).
What are the key properties of [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine?
[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 268.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 7017806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).