(2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

C10H9FN2O — CID 11974384

IUPAC(2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\c2ccc(F)cc2)CC1
InChIInChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/b13-7-
InChIKeyPJNFTRCMSUMMSC-QPEQYQDCSA-N
MW192.19 g/mol
LogP0.33
Rot. Bonds1

About (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

(2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 11974384) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name(2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID11974384
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name(2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\c2ccc(F)cc2)CC1
InChIInChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/b13-7-
InChIKeyPJNFTRCMSUMMSC-QPEQYQDCSA-N
XLogP0.33
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.33
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

(E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
CID 5919027
N-ethyl-1-(4-fluorophenyl)methanimine
CID 12927008
AC1Nybhi
CID 5875398
N-[(E)-(4-fluorophenyl)methylideneamino]-N-methylmethanamine
CID 9637954
(2Z)-2-[(2-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 11148217
N-allyl-1-(4-fluorophenyl)methanimine
CID 11400959
(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 12080113
N-[(E)-(2,3-difluorophenyl)methylideneamino]-N-methylmethanamine
CID 16087650
(E)-1-(4-fluorophenyl)-N-(methylideneamino)methanimine
CID 93501624
2-[(2-Fluorophenyl)methylidene]-1,1-dimethylhydrazine
CID 110337048
N-[(e)-(2-fluorophenyl)methylidene]-3-(vinyl-oxy)propan-1-amine
CID 129756118
N-[(e)-(4-fluorophenyl)methylidene]-3-(vinyl-oxy)propan-1-amine
CID 129756226

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate (CID 11974384) is (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N/[N+](=C\c2ccc(F)cc2)CC1.
What is the InChIKey of (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is PJNFTRCMSUMMSC-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/b13-7-.
What are the key properties of (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
(2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 192.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 11974384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).