1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide

C13H20N4O2 — CID 110246529

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)Cn2nc(C)cc2C)C1
InChIInChI=1S/C13H20N4O2/c1-9-6-10(2)17(15-9)8-12(18)16-5-4-11(7-16)13(19)14-3/h6,11H,4-5,7-8H2,1-3H3,(H,14,19)
InChIKeyQYRHCCOPTCHNPM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.09
Rot. Bonds3

About 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide

1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 110246529) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID110246529
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)Cn2nc(C)cc2C)C1
InChIInChI=1S/C13H20N4O2/c1-9-6-10(2)17(15-9)8-12(18)16-5-4-11(7-16)13(19)14-3/h6,11H,4-5,7-8H2,1-3H3,(H,14,19)
InChIKeyQYRHCCOPTCHNPM-UHFFFAOYSA-N
XLogP0.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63594626
1-[2-(azepane-1-carbonyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 110246407
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124984897
1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63863889
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;dihydrochloride
CID 119592882
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 124948870
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide (CID 110246529) is 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(C(=O)Cn2nc(C)cc2C)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is QYRHCCOPTCHNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-10(2)17(15-9)8-12(18)16-5-4-11(7-16)13(19)14-3/h6,11H,4-5,7-8H2,1-3H3,(H,14,19).
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide?
1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110246529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).