3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide

C17H30N4O2 — CID 86283240

IUPAC3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide
SMILESCCOCCC(=O)N[C@H]1CN(Cc2cc(C)[nH]n2)C[C@@H]1C(C)C
InChIInChI=1S/C17H30N4O2/c1-5-23-7-6-17(22)18-16-11-21(10-15(16)12(2)3)9-14-8-13(4)19-20-14/h8,12,15-16H,5-7,9-11H2,1-4H3,(H,18,22)(H,19,20)/t15-,16+/m1/s1
InChIKeyOBFSYDFXNGKORW-CVEARBPZSA-N
MW322.45 g/mol
LogP1.72
Rot. Bonds8

About 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide

3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide (PubChem CID 86283240) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide
PubChem CID86283240
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide
SMILESCCOCCC(=O)N[C@H]1CN(Cc2cc(C)[nH]n2)C[C@@H]1C(C)C
InChIInChI=1S/C17H30N4O2/c1-5-23-7-6-17(22)18-16-11-21(10-15(16)12(2)3)9-14-8-13(4)19-20-14/h8,12,15-16H,5-7,9-11H2,1-4H3,(H,18,22)(H,19,20)/t15-,16+/m1/s1
InChIKeyOBFSYDFXNGKORW-CVEARBPZSA-N
XLogP1.72
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide (CID 86283240) is 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide is CCOCCC(=O)N[C@H]1CN(Cc2cc(C)[nH]n2)C[C@@H]1C(C)C.
What is the InChIKey of 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide?
The InChIKey is OBFSYDFXNGKORW-CVEARBPZSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-23-7-6-17(22)18-16-11-21(10-15(16)12(2)3)9-14-8-13(4)19-20-14/h8,12,15-16H,5-7,9-11H2,1-4H3,(H,18,22)(H,19,20)/t15-,16+/m1/s1.
What are the key properties of 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide?
3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 86283240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).