[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate

C19H16N4O3 — CID 51112697

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C19H16N4O3/c24-18-3-1-11-22(18)15-5-7-16(8-6-15)26-19(25)14-4-9-17(20-13-14)23-12-2-10-21-23/h2,4-10,12-13H,1,3,11H2
InChIKeyYIQWZEIHAMJMTA-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.61
Rot. Bonds4

About [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate

[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate (PubChem CID 51112697) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate
PubChem CID51112697
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C19H16N4O3/c24-18-3-1-11-22(18)15-5-7-16(8-6-15)26-19(25)14-4-9-17(20-13-14)23-12-2-10-21-23/h2,4-10,12-13H,1,3,11H2
InChIKeyYIQWZEIHAMJMTA-UHFFFAOYSA-N
XLogP2.61
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
CID 34144593
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 51218356
[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate
CID 35545788
[4-(2-oxopyrrolidin-1-yl)phenyl] 4-imidazol-1-yl-3-nitrobenzoate
CID 51218348
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 46611893
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 34752632
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 55610863
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[4-(2-oxopyrrolidin-1-yl)phenyl] 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 134047665
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 35435866
[4-(2-oxopyrrolidin-1-yl)phenyl] 1-(2-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 134026276

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate (CID 51112697) is [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate is O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cccn2)nc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
The InChIKey is YIQWZEIHAMJMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-18-3-1-11-22(18)15-5-7-16(8-6-15)26-19(25)14-4-9-17(20-13-14)23-12-2-10-21-23/h2,4-10,12-13H,1,3,11H2.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 51112697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).