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

C14H12N2O — CID 134925645

IUPAC(2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\c2cccc3ccccc23)CC1
InChIInChI=1S/C14H12N2O/c17-14-8-9-16(15-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9H2/b16-10-
InChIKeySTVDYDYGZBSCLQ-YBEGLDIGSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds1

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

(2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 134925645) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name(2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID134925645
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\c2cccc3ccccc23)CC1
InChIInChI=1S/C14H12N2O/c17-14-8-9-16(15-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9H2/b16-10-
InChIKeySTVDYDYGZBSCLQ-YBEGLDIGSA-N
XLogP1.35
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.35
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

Naphthalene, 1-(diazomethyl)-
CID 12576845
N-(1-Naphthylmethylidene)methylamine
CID 10464721
1-Naphthalenecarboxaldehyde, hydrazone
CID 5195864
1-naphthalen-2-yl-N-prop-2-enylmethanimine
CID 10899541
2-(Diazomethyl)naphthalene
CID 12456005
N-ethyl-1-naphthalen-1-ylmethanimine
CID 134892893
N-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]methanamine
CID 5958551
1-Naphthaldehyde hydrazone
CID 9611613
N-(2-Naphthylmethylene)-methylamine
CID 21056336
N-methyl-1-naphthalen-1-ylmethanimine oxide
CID 6193982
N-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 9601248
N-ethyl-1-naphthalen-2-ylmethanimine
CID 11252377

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate (CID 134925645) is (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N/[N+](=C\c2cccc3ccccc23)CC1.
What is the InChIKey of (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is STVDYDYGZBSCLQ-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-8-9-16(15-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9H2/b16-10-.
What are the key properties of (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
(2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 224.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(naphthalen-1-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 134925645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).