1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C15H19N5O — CID 110101094

IUPAC1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(-c3cc(C)[nH]n3)n2)C1
InChIInChI=1S/C15H19N5O/c1-9-6-13(14-7-10(2)18-19-14)17-15(16-9)12-4-5-20(8-12)11(3)21/h6-7,12H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyIJSWUPIPFCGQBU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.82
Rot. Bonds2

About 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110101094) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110101094
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(-c3cc(C)[nH]n3)n2)C1
InChIInChI=1S/C15H19N5O/c1-9-6-13(14-7-10(2)18-19-14)17-15(16-9)12-4-5-20(8-12)11(3)21/h6-7,12H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyIJSWUPIPFCGQBU-UHFFFAOYSA-N
XLogP1.82
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 124944043
1-[(3S)-3-[4-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956672
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
1-[3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101486
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110130977
1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110101867
1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269550
1-[3-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110256208
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883
N-[2-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95829909

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 110101094) is 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C)cc(-c3cc(C)[nH]n3)n2)C1.
What is the InChIKey of 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is IJSWUPIPFCGQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-6-13(14-7-10(2)18-19-14)17-15(16-9)12-4-5-20(8-12)11(3)21/h6-7,12H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110101094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).