[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate

C19H21N3O3 — CID 97047508

IUPAC[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate
SMILESCc1cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)nn1-c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-13-9-17(20-22(13)16-5-3-2-4-6-16)19(24)25-12-14-10-18(23)21(11-14)15-7-8-15/h2-6,9,14-15H,7-8,10-12H2,1H3/t14-/m1/s1
InChIKeyCWNIBJQZKZCRJD-CQSZACIVSA-N
MW339.39 g/mol
LogP2.35
Rot. Bonds5

About [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate

[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate (PubChem CID 97047508) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate
PubChem CID97047508
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate
SMILESCc1cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)nn1-c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-13-9-17(20-22(13)16-5-3-2-4-6-16)19(24)25-12-14-10-18(23)21(11-14)15-7-8-15/h2-6,9,14-15H,7-8,10-12H2,1H3/t14-/m1/s1
InChIKeyCWNIBJQZKZCRJD-CQSZACIVSA-N
XLogP2.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate?
The IUPAC name of [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate (CID 97047508) is [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate is Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)nn1-c1ccccc1.
What is the InChIKey of [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate?
The InChIKey is CWNIBJQZKZCRJD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-9-17(20-22(13)16-5-3-2-4-6-16)19(24)25-12-14-10-18(23)21(11-14)15-7-8-15/h2-6,9,14-15H,7-8,10-12H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate?
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 97047508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).