[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone

C19H19FN4O — CID 46086668

IUPAC[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC2C)cnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C19H19FN4O/c1-12-4-3-9-23(12)19(25)16-10-21-18-17(11-22-24(18)13(16)2)14-5-7-15(20)8-6-14/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyQAYJGFAWESEMGD-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.47
Rot. Bonds2

About [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone

[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 46086668) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID46086668
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC2C)cnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C19H19FN4O/c1-12-4-3-9-23(12)19(25)16-10-21-18-17(11-22-24(18)13(16)2)14-5-7-15(20)8-6-14/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyQAYJGFAWESEMGD-UHFFFAOYSA-N
XLogP3.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865279
[3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865298
[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 7626813
[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 50790806
[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865320
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537550
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 46086668) is [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone is Cc1c(C(=O)N2CCCC2C)cnc2c(-c3ccc(F)cc3)cnn12.
What is the InChIKey of [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is QAYJGFAWESEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12-4-3-9-23(12)19(25)16-10-21-18-17(11-22-24(18)13(16)2)14-5-7-15(20)8-6-14/h5-8,10-12H,3-4,9H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone?
[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 338.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46086668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).