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

C12H19F3N4 — CID 105288747

IUPAC[(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESCn1cc(C(NN)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C12H19F3N4/c1-19-7-9(6-17-19)11(18-16)8-3-2-4-10(5-8)12(13,14)15/h6-8,10-11,18H,2-5,16H2,1H3
InChIKeyLLQAXDGGQCHOOW-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.29
Rot. Bonds3

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

[(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine (PubChem CID 105288747) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is [(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine.

Molecular Properties

Compound Name[(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
PubChem CID105288747
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name[(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESCn1cc(C(NN)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C12H19F3N4/c1-19-7-9(6-17-19)11(18-16)8-3-2-4-10(5-8)12(13,14)15/h6-8,10-11,18H,2-5,16H2,1H3
InChIKeyLLQAXDGGQCHOOW-UHFFFAOYSA-N
XLogP2.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.29
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-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The IUPAC name of [(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine (CID 105288747) is [(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine.
What is the SMILES notation for [(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The canonical SMILES for [(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine is Cn1cc(C(NN)C2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of [(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The InChIKey is LLQAXDGGQCHOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-19-7-9(6-17-19)11(18-16)8-3-2-4-10(5-8)12(13,14)15/h6-8,10-11,18H,2-5,16H2,1H3.
What are the key properties of [(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
[(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine has a molecular weight of 276.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine is sourced from PubChem (CID 105288747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).