[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C10H11F3N6 — CID 19620940

IUPAC[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCCn1nccc1-c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C10H11F3N6/c1-2-19-7(3-4-15-19)6-5-8(10(11,12)13)17-9(16-6)18-14/h3-5H,2,14H2,1H3,(H,16,17,18)
InChIKeyAPGUYFXAKPBRJM-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.66
Rot. Bonds3

About [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 19620940) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID19620940
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCCn1nccc1-c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C10H11F3N6/c1-2-19-7(3-4-15-19)6-5-8(10(11,12)13)17-9(16-6)18-14/h3-5H,2,14H2,1H3,(H,16,17,18)
InChIKeyAPGUYFXAKPBRJM-UHFFFAOYSA-N
XLogP1.66
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.66
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-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 19620940) is [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is CCn1nccc1-c1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is APGUYFXAKPBRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c1-2-19-7(3-4-15-19)6-5-8(10(11,12)13)17-9(16-6)18-14/h3-5H,2,14H2,1H3,(H,16,17,18).
What are the key properties of [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 272.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 19620940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).