2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide

C13H22N4O — CID 104955365

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC[C@@H]2CCCN2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(2)17(16-10)9-13(18)15-7-5-12-4-3-6-14-12/h8,12,14H,3-7,9H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyKUXYTJLQKJGBDL-LBPRGKRZSA-N
MW250.35 g/mol
LogP0.76
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide (PubChem CID 104955365) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
PubChem CID104955365
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC[C@@H]2CCCN2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(2)17(16-10)9-13(18)15-7-5-12-4-3-6-14-12/h8,12,14H,3-7,9H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyKUXYTJLQKJGBDL-LBPRGKRZSA-N
XLogP0.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43648264
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
N-(2-pyrrolidin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
CID 114793795
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 104954996
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104971914
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119449670
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-2-carboxamide
CID 114536594

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide (CID 104955365) is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide is Cc1cc(C)n(CC(=O)NCC[C@@H]2CCCN2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The InChIKey is KUXYTJLQKJGBDL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-11(2)17(16-10)9-13(18)15-7-5-12-4-3-6-14-12/h8,12,14H,3-7,9H2,1-2H3,(H,15,18)/t12-/m0/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 104955365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).