1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide

C15H12FN5O — CID 163980281

IUPAC1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N=C)c1cc(-c2ccon2)n(Cc2ccccc2F)n1
InChIInChI=1S/C15H12FN5O/c1-18-15(17)13-8-14(12-6-7-22-20-12)21(19-13)9-10-4-2-3-5-11(10)16/h2-8,17H,1,9H2/b17-15-
InChIKeySXTOFDMIJGNUHV-ICFOKQHNSA-N
MW297.29 g/mol
LogP2.75
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide

1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide (PubChem CID 163980281) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide
PubChem CID163980281
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N=C)c1cc(-c2ccon2)n(Cc2ccccc2F)n1
InChIInChI=1S/C15H12FN5O/c1-18-15(17)13-8-14(12-6-7-22-20-12)21(19-13)9-10-4-2-3-5-11(10)16/h2-8,17H,1,9H2/b17-15-
InChIKeySXTOFDMIJGNUHV-ICFOKQHNSA-N
XLogP2.75
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine
CID 123260566
6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine
CID 159232776
3-[1-[(2-fluorophenyl)methyl]-3-[4-nitroso-5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 129169524
(4S)-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(2-hydroxypropan-2-yl)-3-methyl-4H-pyrimidin-4-ol
CID 126491226
2,2,2-trifluoro-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]acetamide
CID 90446268
3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 118965712
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-piperidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole;formic acid
CID 144886548
ethyl 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 68643354
N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propanediamide
CID 118233464
methyl 3-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-oxopropanoate
CID 118962822
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446402
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-pyridin-3-ylpyrimidin-4-amine
CID 56597271

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide (CID 163980281) is 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide is [H]/N=C(\N=C)c1cc(-c2ccon2)n(Cc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide?
The InChIKey is SXTOFDMIJGNUHV-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H12FN5O/c1-18-15(17)13-8-14(12-6-7-22-20-12)21(19-13)9-10-4-2-3-5-11(10)16/h2-8,17H,1,9H2/b17-15-.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide?
1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide has a molecular weight of 297.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide is sourced from PubChem (CID 163980281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).