N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

C15H18F3N3O — CID 139983760

IUPACN'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESC=CCC1(NNC(=O)c2cnccc2C(F)(F)F)CCCC1
InChIInChI=1S/C15H18F3N3O/c1-2-6-14(7-3-4-8-14)21-20-13(22)11-10-19-9-5-12(11)15(16,17)18/h2,5,9-10,21H,1,3-4,6-8H2,(H,20,22)
InChIKeyIYFCYDUCWOEQAK-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.22
Rot. Bonds5

About N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide

N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 139983760) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID139983760
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESC=CCC1(NNC(=O)c2cnccc2C(F)(F)F)CCCC1
InChIInChI=1S/C15H18F3N3O/c1-2-6-14(7-3-4-8-14)21-20-13(22)11-10-19-9-5-12(11)15(16,17)18/h2,5,9-10,21H,1,3-4,6-8H2,(H,20,22)
InChIKeyIYFCYDUCWOEQAK-UHFFFAOYSA-N
XLogP3.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide (CID 139983760) is N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is C=CCC1(NNC(=O)c2cnccc2C(F)(F)F)CCCC1.
What is the InChIKey of N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is IYFCYDUCWOEQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-2-6-14(7-3-4-8-14)21-20-13(22)11-10-19-9-5-12(11)15(16,17)18/h2,5,9-10,21H,1,3-4,6-8H2,(H,20,22).
What are the key properties of N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 313.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 139983760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).