(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide

C13H20N4O2 — CID 138023677

IUPAC(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1ccc(CC(=O)N2CCC[C@@H]2C(N)=O)n1
InChIInChI=1S/C13H20N4O2/c1-9(2)17-7-5-10(15-17)8-12(18)16-6-3-4-11(16)13(14)19/h5,7,9,11H,3-4,6,8H2,1-2H3,(H2,14,19)/t11-/m1/s1
InChIKeyAGBPXGKTZURXKN-LLVKDONJSA-N
MW264.33 g/mol
LogP0.48
Rot. Bonds4

About (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide

(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 138023677) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID138023677
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1ccc(CC(=O)N2CCC[C@@H]2C(N)=O)n1
InChIInChI=1S/C13H20N4O2/c1-9(2)17-7-5-10(15-17)8-12(18)16-6-3-4-11(16)13(14)19/h5,7,9,11H,3-4,6,8H2,1-2H3,(H2,14,19)/t11-/m1/s1
InChIKeyAGBPXGKTZURXKN-LLVKDONJSA-N
XLogP0.48
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide
CID 136549864
1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 175878208
(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 154742388
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116598430
(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95780445
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116568846
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64772251
1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 138023677) is (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide is CC(C)n1ccc(CC(=O)N2CCC[C@@H]2C(N)=O)n1.
What is the InChIKey of (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is AGBPXGKTZURXKN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)17-7-5-10(15-17)8-12(18)16-6-3-4-11(16)13(14)19/h5,7,9,11H,3-4,6,8H2,1-2H3,(H2,14,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 138023677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).