4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide

C18H19F3N4O2 — CID 171131145

IUPAC4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccn(CC(F)(F)F)n1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)12-25-10-9-14(24-25)11-22-23-17(26)13-5-7-16(8-6-13)27-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,23,26)
InChIKeyOUBFQRCDXYIDDQ-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.53
Rot. Bonds6

About 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide

4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide (PubChem CID 171131145) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide
PubChem CID171131145
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccn(CC(F)(F)F)n1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)12-25-10-9-14(24-25)11-22-23-17(26)13-5-7-16(8-6-13)27-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,23,26)
InChIKeyOUBFQRCDXYIDDQ-UHFFFAOYSA-N
XLogP3.53
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1,5-dimethyl-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]pyrazole-3-carboxamide
CID 119056066
5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide
CID 124850862
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 38455253
4-cyclopentyloxy-N-(1-phenylethylideneamino)benzamide
CID 842328
4-cyclopentyloxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzamide
CID 6002881
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(E)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]propanamide
CID 124877745
4-cyclohexyloxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000518
4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716152
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride
CID 110777040

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide (CID 171131145) is 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide is O=C(NN=Cc1ccn(CC(F)(F)F)n1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide?
The InChIKey is OUBFQRCDXYIDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)12-25-10-9-14(24-25)11-22-23-17(26)13-5-7-16(8-6-13)27-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,23,26).
What are the key properties of 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide?
4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 171131145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).