2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide

C13H22N4O2 — CID 71999994

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C13H22N4O2/c1-2-7-17-12(5-6-14-17)15-13(19)9-16-8-3-4-11(16)10-18/h5-6,11,18H,2-4,7-10H2,1H3,(H,15,19)/t11-/m0/s1
InChIKeyDUAHUBNSJWSTLM-NSHDSACASA-N
MW266.34 g/mol
LogP0.69
Rot. Bonds6

About 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 71999994) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID71999994
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C13H22N4O2/c1-2-7-17-12(5-6-14-17)15-13(19)9-16-8-3-4-11(16)10-18/h5-6,11,18H,2-4,7-10H2,1H3,(H,15,19)/t11-/m0/s1
InChIKeyDUAHUBNSJWSTLM-NSHDSACASA-N
XLogP0.69
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide 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 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide (CID 71999994) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)CN1CCC[C@H]1CO.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is DUAHUBNSJWSTLM-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-7-17-12(5-6-14-17)15-13(19)9-16-8-3-4-11(16)10-18/h5-6,11,18H,2-4,7-10H2,1H3,(H,15,19)/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71999994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).