[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine

C13H21F3N4 — CID 105289867

IUPAC[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESCCn1cc(C(NN)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H21F3N4/c1-2-20-8-10(7-18-20)12(19-17)9-4-3-5-11(6-9)13(14,15)16/h7-9,11-12,19H,2-6,17H2,1H3
InChIKeyDRHGEFISLKMKJT-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.78
Rot. Bonds4

About [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine

[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine (PubChem CID 105289867) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine.

Molecular Properties

Compound Name[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
PubChem CID105289867
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESCCn1cc(C(NN)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H21F3N4/c1-2-20-8-10(7-18-20)12(19-17)9-4-3-5-11(6-9)13(14,15)16/h7-9,11-12,19H,2-6,17H2,1H3
InChIKeyDRHGEFISLKMKJT-UHFFFAOYSA-N
XLogP2.78
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.78
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'}

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Frequently Asked Questions

What is the IUPAC name of [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The IUPAC name of [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine (CID 105289867) is [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine.
What is the SMILES notation for [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The canonical SMILES for [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine is CCn1cc(C(NN)C2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The InChIKey is DRHGEFISLKMKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-2-20-8-10(7-18-20)12(19-17)9-4-3-5-11(6-9)13(14,15)16/h7-9,11-12,19H,2-6,17H2,1H3.
What are the key properties of [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine has a molecular weight of 290.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine is sourced from PubChem (CID 105289867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).