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

C14H17N5O — CID 110101313

IUPAC1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc(-c2ccn[nH]2)nc(C)n1
InChIInChI=1S/C14H17N5O/c1-9-16-12(11-5-6-15-18-11)8-13(17-9)14-4-3-7-19(14)10(2)20/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyZBILWRMTZLFXHF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.86
Rot. Bonds2

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

1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110101313) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110101313
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc(-c2ccn[nH]2)nc(C)n1
InChIInChI=1S/C14H17N5O/c1-9-16-12(11-5-6-15-18-11)8-13(17-9)14-4-3-7-19(14)10(2)20/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyZBILWRMTZLFXHF-UHFFFAOYSA-N
XLogP1.86
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124970677
1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124994513
3-[6-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]benzoic acid
CID 110120260
1-[2-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110101187
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255590
2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 125005686
1-[2-[2-(5-methyl-1H-pyrazol-3-yl)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110102001
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95730771
1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone
CID 110271802

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110101313) is 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cc(-c2ccn[nH]2)nc(C)n1.
What is the InChIKey of 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZBILWRMTZLFXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-16-12(11-5-6-15-18-11)8-13(17-9)14-4-3-7-19(14)10(2)20/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,18).
What are the key properties of 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110101313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).