cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride

C19H32ClF3N4O2 — CID 69159090

IUPACcyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn(C2CCCCC2)c1C(F)(F)F.Cl.NNC1CCCCC1
InChIInChI=1S/C13H17F3N2O2.C6H14N2.ClH/c1-2-20-12(19)10-8-17-18(11(10)13(14,15)16)9-6-4-3-5-7-9;7-8-6-4-2-1-3-5-6;/h8-9H,2-7H2,1H3;6,8H,1-5,7H2;1H
InChIKeyCQXNZDPIRVVHCR-UHFFFAOYSA-N
MW440.94 g/mol
LogP4.79
Rot. Bonds4

About cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride

cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride (PubChem CID 69159090) has the molecular formula C19H32ClF3N4O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namecyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride
PubChem CID69159090
Molecular FormulaC19H32ClF3N4O2
Molecular Weight440.94 g/mol
Exact Mass440.22
IUPAC Namecyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn(C2CCCCC2)c1C(F)(F)F.Cl.NNC1CCCCC1
InChIInChI=1S/C13H17F3N2O2.C6H14N2.ClH/c1-2-20-12(19)10-8-17-18(11(10)13(14,15)16)9-6-4-3-5-7-9;7-8-6-4-2-1-3-5-6;/h8-9H,2-7H2,1H3;6,8H,1-5,7H2;1H
InChIKeyCQXNZDPIRVVHCR-UHFFFAOYSA-N
XLogP4.79
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 54.79
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 cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride (CID 69159090) is cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride is CCOC(=O)c1cnn(C2CCCCC2)c1C(F)(F)F.Cl.NNC1CCCCC1.
What is the InChIKey of cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride?
The InChIKey is CQXNZDPIRVVHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2.C6H14N2.ClH/c1-2-20-12(19)10-8-17-18(11(10)13(14,15)16)9-6-4-3-5-7-9;7-8-6-4-2-1-3-5-6;/h8-9H,2-7H2,1H3;6,8H,1-5,7H2;1H.
What are the key properties of cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride?
cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride has a molecular weight of 440.94 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylhydrazine;ethyl 1-cyclohexyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 69159090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).