(5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate

C19H23N3O3 — CID 71853314

IUPAC(5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1C(=O)OCC1CCC(=O)N1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)17-15(11-22(21-17)14-7-5-4-6-8-14)18(24)25-12-13-9-10-16(23)20-13/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,23)
InChIKeyOOFKNKBSXDZDGW-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.61
Rot. Bonds4

About (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate

(5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate (PubChem CID 71853314) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate
PubChem CID71853314
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1C(=O)OCC1CCC(=O)N1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)17-15(11-22(21-17)14-7-5-4-6-8-14)18(24)25-12-13-9-10-16(23)20-13/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,23)
InChIKeyOOFKNKBSXDZDGW-UHFFFAOYSA-N
XLogP2.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
ethyl 1-phenyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)pyrazole-4-carboxylate
CID 163934460
3-[(3-tert-butyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119351332
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-tert-butyl-1-phenylpyrazol-4-yl)methanone
CID 120749954
ethyl 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42284589
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
(5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate
CID 86782692
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42284583
[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959
(2-methylcyclopropyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 71885554
[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95040685
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552

Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate (CID 71853314) is (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate is CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)OCC1CCC(=O)N1.
What is the InChIKey of (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is OOFKNKBSXDZDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)17-15(11-22(21-17)14-7-5-4-6-8-14)18(24)25-12-13-9-10-16(23)20-13/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,23).
What are the key properties of (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate?
(5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl)methyl 3-tert-butyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 71853314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).