3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide

C17H21N5O2 — CID 119951802

IUPAC3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
SMILESCn1cc(N2CCC(NC(=O)CC(N)c3ccccc3)C2=O)cn1
InChIInChI=1S/C17H21N5O2/c1-21-11-13(10-19-21)22-8-7-15(17(22)24)20-16(23)9-14(18)12-5-3-2-4-6-12/h2-6,10-11,14-15H,7-9,18H2,1H3,(H,20,23)
InChIKeyCJOBAGGWAVTTCD-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.73
Rot. Bonds5

About 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide

3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide (PubChem CID 119951802) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
PubChem CID119951802
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
SMILESCn1cc(N2CCC(NC(=O)CC(N)c3ccccc3)C2=O)cn1
InChIInChI=1S/C17H21N5O2/c1-21-11-13(10-19-21)22-8-7-15(17(22)24)20-16(23)9-14(18)12-5-3-2-4-6-12/h2-6,10-11,14-15H,7-9,18H2,1H3,(H,20,23)
InChIKeyCJOBAGGWAVTTCD-UHFFFAOYSA-N
XLogP0.73
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide (CID 119951802) is 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide is Cn1cc(N2CCC(NC(=O)CC(N)c3ccccc3)C2=O)cn1.
What is the InChIKey of 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide?
The InChIKey is CJOBAGGWAVTTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-11-13(10-19-21)22-8-7-15(17(22)24)20-16(23)9-14(18)12-5-3-2-4-6-12/h2-6,10-11,14-15H,7-9,18H2,1H3,(H,20,23).
What are the key properties of 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide?
3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide has a molecular weight of 327.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 119951802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).