cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride

C17H28ClF3N4O2 — CID 69160577

IUPACcyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn(C2CCCC2)c1C(F)(F)F.Cl.NNC1CCCC1
InChIInChI=1S/C12H15F3N2O2.C5H12N2.ClH/c1-2-19-11(18)9-7-16-17(8-5-3-4-6-8)10(9)12(13,14)15;6-7-5-3-1-2-4-5;/h7-8H,2-6H2,1H3;5,7H,1-4,6H2;1H
InChIKeyHSZQDYMGOHYZLS-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.01
Rot. Bonds4

About cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride

cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride (PubChem CID 69160577) has the molecular formula C17H28ClF3N4O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namecyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride
PubChem CID69160577
Molecular FormulaC17H28ClF3N4O2
Molecular Weight412.88 g/mol
Exact Mass412.19
IUPAC Namecyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn(C2CCCC2)c1C(F)(F)F.Cl.NNC1CCCC1
InChIInChI=1S/C12H15F3N2O2.C5H12N2.ClH/c1-2-19-11(18)9-7-16-17(8-5-3-4-6-8)10(9)12(13,14)15;6-7-5-3-1-2-4-5;/h7-8H,2-6H2,1H3;5,7H,1-4,6H2;1H
InChIKeyHSZQDYMGOHYZLS-UHFFFAOYSA-N
XLogP4.01
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.01
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 cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride (CID 69160577) is cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride is CCOC(=O)c1cnn(C2CCCC2)c1C(F)(F)F.Cl.NNC1CCCC1.
What is the InChIKey of cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride?
The InChIKey is HSZQDYMGOHYZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2.C5H12N2.ClH/c1-2-19-11(18)9-7-16-17(8-5-3-4-6-8)10(9)12(13,14)15;6-7-5-3-1-2-4-5;/h7-8H,2-6H2,1H3;5,7H,1-4,6H2;1H.
What are the key properties of cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride?
cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride has a molecular weight of 412.88 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylhydrazine;ethyl 1-cyclopentyl-5-(trifluoromethyl)pyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 69160577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).