2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H19FN4O2 — CID 110237977

IUPAC2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCN(C(=O)Cc4ccccc4F)C3)cc2n1
InChIInChI=1S/C19H19FN4O2/c1-12-8-19(26)24-17(21-12)10-16(22-24)14-6-7-23(11-14)18(25)9-13-4-2-3-5-15(13)20/h2-5,8,10,14,22H,6-7,9,11H2,1H3
InChIKeyMGIZFTHPVNUFGT-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.03
Rot. Bonds3

About 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110237977) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110237977
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCN(C(=O)Cc4ccccc4F)C3)cc2n1
InChIInChI=1S/C19H19FN4O2/c1-12-8-19(26)24-17(21-12)10-16(22-24)14-6-7-23(11-14)18(25)9-13-4-2-3-5-15(13)20/h2-5,8,10,14,22H,6-7,9,11H2,1H3
InChIKeyMGIZFTHPVNUFGT-UHFFFAOYSA-N
XLogP2.03
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214771
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237974
4-[2-[3-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 110214576
5-methyl-2-[(3S)-1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061679
2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215993
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237995
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061474
5-ethyl-2-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214648
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
2-(1-benzoylpyrrolidin-3-yl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 127244643
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 46952858

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110237977) is 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCN(C(=O)Cc4ccccc4F)C3)cc2n1.
What is the InChIKey of 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MGIZFTHPVNUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-8-19(26)24-17(21-12)10-16(22-24)14-6-7-23(11-14)18(25)9-13-4-2-3-5-15(13)20/h2-5,8,10,14,22H,6-7,9,11H2,1H3.
What are the key properties of 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110237977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).