(2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate

C16H20N2O — CID 177423845

IUPAC(2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\C2CCCCC2)C(c2ccccc2)C1
InChIInChI=1S/C16H20N2O/c19-16-11-15(14-9-5-2-6-10-14)18(17-16)12-13-7-3-1-4-8-13/h2,5-6,9-10,12-13,15H,1,3-4,7-8,11H2/b18-12-
InChIKeyOIWKBFYTKGHQGA-PDGQHHTCSA-N
MW256.35 g/mol
LogP2.47
Rot. Bonds2

About (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate

(2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 177423845) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name(2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID177423845
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\C2CCCCC2)C(c2ccccc2)C1
InChIInChI=1S/C16H20N2O/c19-16-11-15(14-9-5-2-6-10-14)18(17-16)12-13-7-3-1-4-8-13/h2,5-6,9-10,12-13,15H,1,3-4,7-8,11H2/b18-12-
InChIKeyOIWKBFYTKGHQGA-PDGQHHTCSA-N
XLogP2.47
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11054383
(2Z)-2-benzylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate
CID 12199809
1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine
CID 13326158
(2E,4S)-2-benzylidene-4-hexyl-3,4-dihydropyrazol-2-ium-5-olate
CID 134925258
(2Z,4S)-4-hexyl-2-[(4-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 134925394
(2Z)-3-phenyl-2-[(Z)-4-phenylbut-3-enylidene]-3H-diazet-2-ium-4-olate
CID 134925522
(2Z,3R,4R)-2-benzylidene-4-[bis(prop-2-enyl)amino]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate
CID 134925647
(2Z,3S)-2-benzylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate
CID 135076445
(2Z)-2-[(4-bromophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate
CID 166446310
(2Z)-2-benzylidene-3-(4-methylphenyl)-3,4-dihydropyrazol-2-ium-5-olate
CID 166446312
(2Z,3S)-2-benzylidene-3-(3-bromophenyl)-3,4-dihydropyrazol-2-ium-5-olate
CID 177469890
(2Z)-3-phenyl-2-[[3-(trifluoromethyl)phenyl]methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 16658258

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate (CID 177423845) is (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N/[N+](=C\C2CCCCC2)C(c2ccccc2)C1.
What is the InChIKey of (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is OIWKBFYTKGHQGA-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-11-15(14-9-5-2-6-10-14)18(17-16)12-13-7-3-1-4-8-13/h2,5-6,9-10,12-13,15H,1,3-4,7-8,11H2/b18-12-.
What are the key properties of (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate?
(2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 256.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclohexylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 177423845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).