2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide

C13H21ClN4O2 — CID 133266960

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)Cn1cc(Cl)c(C)n1
InChIInChI=1S/C13H21ClN4O2/c1-4-20-12-7-17(3)6-11(12)15-13(19)8-18-5-10(14)9(2)16-18/h5,11-12H,4,6-8H2,1-3H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyQOIZHZDCWHPYMI-VXGBXAGGSA-N
MW300.79 g/mol
LogP0.68
Rot. Bonds5

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide (PubChem CID 133266960) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide
PubChem CID133266960
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)Cn1cc(Cl)c(C)n1
InChIInChI=1S/C13H21ClN4O2/c1-4-20-12-7-17(3)6-11(12)15-13(19)8-18-5-10(14)9(2)16-18/h5,11-12H,4,6-8H2,1-3H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyQOIZHZDCWHPYMI-VXGBXAGGSA-N
XLogP0.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide (CID 133266960) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide is CCO[C@@H]1CN(C)C[C@H]1NC(=O)Cn1cc(Cl)c(C)n1.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide?
The InChIKey is QOIZHZDCWHPYMI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-4-20-12-7-17(3)6-11(12)15-13(19)8-18-5-10(14)9(2)16-18/h5,11-12H,4,6-8H2,1-3H3,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide has a molecular weight of 300.79 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133266960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).