(2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate

C18H14N2O — CID 134924212

IUPAC(2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\c2cccc3cc4ccccc4cc23)CC1
InChIInChI=1S/C18H14N2O/c21-18-8-9-20(19-18)12-16-7-3-6-15-10-13-4-1-2-5-14(13)11-17(15)16/h1-7,10-12H,8-9H2/b20-12-
InChIKeyWVQBTCACTQWEDY-NDENLUEZSA-N
MW274.32 g/mol
LogP2.50
Rot. Bonds1

About (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate

(2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 134924212) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name(2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID134924212
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\c2cccc3cc4ccccc4cc23)CC1
InChIInChI=1S/C18H14N2O/c21-18-8-9-20(19-18)12-16-7-3-6-15-10-13-4-1-2-5-14(13)11-17(15)16/h1-7,10-12H,8-9H2/b20-12-
InChIKeyWVQBTCACTQWEDY-NDENLUEZSA-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
2-Naphthalenecarboxaldehyde, (2-naphthalenylmethylene)hydrazone
CID 9602920
Pyren-1-ylmethylene-hydrazine
CID 5377088
1-Pyrenecarboxaldehyde hydrazone
CID 618521
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
3-(9-Anthryl)-diazo-2-propen
CID 54369939

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate (CID 134924212) is (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N/[N+](=C\c2cccc3cc4ccccc4cc23)CC1.
What is the InChIKey of (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is WVQBTCACTQWEDY-NDENLUEZSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18-8-9-20(19-18)12-16-7-3-6-15-10-13-4-1-2-5-14(13)11-17(15)16/h1-7,10-12H,8-9H2/b20-12-.
What are the key properties of (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
(2Z)-2-(anthracen-1-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 (2Z)-2-(anthracen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 134924212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).