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

C20H23FN4O — CID 110238067

IUPAC6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCN(Cc4cccc(F)c4)C3)[nH]n2c1=O
InChIInChI=1S/C20H23FN4O/c1-3-17-13(2)22-19-10-18(23-25(19)20(17)26)15-7-8-24(12-15)11-14-5-4-6-16(21)9-14/h4-6,9-10,15,23H,3,7-8,11-12H2,1-2H3
InChIKeyJSUCEUUWWFJIBA-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.02
Rot. Bonds4

About 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110238067) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110238067
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCN(Cc4cccc(F)c4)C3)[nH]n2c1=O
InChIInChI=1S/C20H23FN4O/c1-3-17-13(2)22-19-10-18(23-25(19)20(17)26)15-7-8-24(12-15)11-14-5-4-6-16(21)9-14/h4-6,9-10,15,23H,3,7-8,11-12H2,1-2H3
InChIKeyJSUCEUUWWFJIBA-UHFFFAOYSA-N
XLogP3.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110088508
2-[2-[(3R)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N,N-dimethylacetamide
CID 124994147
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110238058
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139002
2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118747396
2-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92553458
2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46955651
4-[[(3aR,7aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124834944
6-ethyl-5-methyl-2-[1-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214677
5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95834716
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
CID 163351279
5-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92568601

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110238067) is 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3CCN(Cc4cccc(F)c4)C3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JSUCEUUWWFJIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-3-17-13(2)22-19-10-18(23-25(19)20(17)26)15-7-8-24(12-15)11-14-5-4-6-16(21)9-14/h4-6,9-10,15,23H,3,7-8,11-12H2,1-2H3.
What are the key properties of 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110238067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).