2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate

C18H14N2O — CID 5260325

IUPAC2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N[N+](=Cc2c3ccccc3cc3ccccc23)CC1
InChIInChI=1S/C18H14N2O/c21-18-9-10-20(19-18)12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12H,9-10H2
InChIKeyYVDCLEKDLMLEJT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.50
Rot. Bonds1

About 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate

2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 5260325) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID5260325
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N[N+](=Cc2c3ccccc3cc3ccccc23)CC1
InChIInChI=1S/C18H14N2O/c21-18-9-10-20(19-18)12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12H,9-10H2
InChIKeyYVDCLEKDLMLEJT-UHFFFAOYSA-N
XLogP2.50
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9-Diazomethylanthracene
CID 3035201
N-[(E)-[10-[(E)-(dimethylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-N-methylmethanamine
CID 44365678
1-Pyrenyldiazomethane
CID 2762674
9-Anthraldehyde hydrazone
CID 9569464
2-Naphthalenecarboxaldehyde, (2-naphthalenylmethylene)hydrazone
CID 9602920
9-Anthracenecarboxaldehyde,hydrazone
CID 343922
N-(9-Anthracenylmethylene)methanamine
CID 12484162
Anthryldiazomethane
CID 23505455
1-anthracen-9-yl-N-ethylmethanimine
CID 101069422
N-[(Z)-anthracen-9-ylmethylideneamino]-N-ethylethanamine
CID 5918841
N-[(E)-9-anthrylmethyleneamino]-N-ethyl-ethanamine
CID 9556227
(Z)-anthracen-9-ylmethylidenehydrazine
CID 5385160

Frequently Asked Questions

What is the IUPAC name of 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate (CID 5260325) is 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N[N+](=Cc2c3ccccc3cc3ccccc23)CC1.
What is the InChIKey of 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is YVDCLEKDLMLEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18-9-10-20(19-18)12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12H,9-10H2.
What are the key properties of 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 274.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracen-9-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 5260325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).