(5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate

C19H23N3O3 — CID 75398953

IUPAC(5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC2CC(=O)N(c3ccccc3)C2)cnn1C(C)C
InChIInChI=1S/C19H23N3O3/c1-13(2)22-14(3)17(10-20-22)19(24)25-12-15-9-18(23)21(11-15)16-7-5-4-6-8-16/h4-8,10,13,15H,9,11-12H2,1-3H3
InChIKeyMVQOKHVYOHOJOY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.98
Rot. Bonds5

About (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate

(5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate (PubChem CID 75398953) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate
PubChem CID75398953
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC2CC(=O)N(c3ccccc3)C2)cnn1C(C)C
InChIInChI=1S/C19H23N3O3/c1-13(2)22-14(3)17(10-20-22)19(24)25-12-15-9-18(23)21(11-15)16-7-5-4-6-8-16/h4-8,10,13,15H,9,11-12H2,1-3H3
InChIKeyMVQOKHVYOHOJOY-UHFFFAOYSA-N
XLogP2.98
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate?
The IUPAC name of (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate (CID 75398953) is (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate?
The canonical SMILES for (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate is Cc1c(C(=O)OCC2CC(=O)N(c3ccccc3)C2)cnn1C(C)C.
What is the InChIKey of (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate?
The InChIKey is MVQOKHVYOHOJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)22-14(3)17(10-20-22)19(24)25-12-15-9-18(23)21(11-15)16-7-5-4-6-8-16/h4-8,10,13,15H,9,11-12H2,1-3H3.
What are the key properties of (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate?
(5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-phenylpyrrolidin-3-yl)methyl 5-methyl-1-propan-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 75398953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).