1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C15H19N5O — CID 124944395

IUPAC1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](c2cc(-c3ccnn3C)nc(C)n2)C1
InChIInChI=1S/C15H19N5O/c1-10-17-13(12-5-7-20(9-12)11(2)21)8-14(18-10)15-4-6-16-19(15)3/h4,6,8,12H,5,7,9H2,1-3H3/t12-/m0/s1
InChIKeyBJKWYXITZDPOQN-LBPRGKRZSA-N
MW285.35 g/mol
LogP1.52
Rot. Bonds2

About 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124944395) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID124944395
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](c2cc(-c3ccnn3C)nc(C)n2)C1
InChIInChI=1S/C15H19N5O/c1-10-17-13(12-5-7-20(9-12)11(2)21)8-14(18-10)15-4-6-16-19(15)3/h4,6,8,12H,5,7,9H2,1-3H3/t12-/m0/s1
InChIKeyBJKWYXITZDPOQN-LBPRGKRZSA-N
XLogP1.52
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101232
1-[(3S)-3-[4-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956672
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 124987790
4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
CID 110101165
2,2-dimethyl-1-[(3R)-3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124947365
2-[6-[(3S)-1-acetylpiperidin-3-yl]-2-methylpyrimidin-4-yl]benzoic acid
CID 125006923
2-methyl-4-(2-methylpyrazol-3-yl)-6-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 124968184
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
CID 124989938
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 124944395) is 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](c2cc(-c3ccnn3C)nc(C)n2)C1.
What is the InChIKey of 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is BJKWYXITZDPOQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-17-13(12-5-7-20(9-12)11(2)21)8-14(18-10)15-4-6-16-19(15)3/h4,6,8,12H,5,7,9H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124944395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).