1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C17H23N5O2 — CID 91771971

IUPAC1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCC(n3nc(C)cc3C)C2)c(=O)n1
InChIInChI=1S/C17H23N5O2/c1-11-7-13(3)21(17(24)18-11)10-16(23)20-6-5-15(9-20)22-14(4)8-12(2)19-22/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyONHUSHVUFJGOSU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.15
Rot. Bonds3

About 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 91771971) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID91771971
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCC(n3nc(C)cc3C)C2)c(=O)n1
InChIInChI=1S/C17H23N5O2/c1-11-7-13(3)21(17(24)18-11)10-16(23)20-6-5-15(9-20)22-14(4)8-12(2)19-22/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyONHUSHVUFJGOSU-UHFFFAOYSA-N
XLogP1.15
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 70737171
2-(cyclopropylmethylsulfanyl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 97142971
1-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 97271132
1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 72884888
1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131909953
2-(1,3-benzothiazol-2-ylamino)-1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 70731369
1-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95860793
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 96576599
1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730
1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70723994
1-[2-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91782442
6-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 97284744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 91771971) is 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)N2CCC(n3nc(C)cc3C)C2)c(=O)n1.
What is the InChIKey of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is ONHUSHVUFJGOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-7-13(3)21(17(24)18-11)10-16(23)20-6-5-15(9-20)22-14(4)8-12(2)19-22/h7-8,15H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 91771971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).