[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone

C16H18FN3O2 — CID 99630098

IUPAC[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESCc1c([C@H]2CCCN2C(=O)c2c(O)cccc2F)cnn1C
InChIInChI=1S/C16H18FN3O2/c1-10-11(9-18-19(10)2)13-6-4-8-20(13)16(22)15-12(17)5-3-7-14(15)21/h3,5,7,9,13,21H,4,6,8H2,1-2H3/t13-/m1/s1
InChIKeyIKBUXIADAGRKMG-CYBMUJFWSA-N
MW303.34 g/mol
LogP2.55
Rot. Bonds2

About [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone

[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone (PubChem CID 99630098) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
PubChem CID99630098
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESCc1c([C@H]2CCCN2C(=O)c2c(O)cccc2F)cnn1C
InChIInChI=1S/C16H18FN3O2/c1-10-11(9-18-19(10)2)13-6-4-8-20(13)16(22)15-12(17)5-3-7-14(15)21/h3,5,7,9,13,21H,4,6,8H2,1-2H3/t13-/m1/s1
InChIKeyIKBUXIADAGRKMG-CYBMUJFWSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016719
(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51856497
[2-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016765
[2-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015847
2-(2-chloro-6-methoxyphenyl)-1-[2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 86793609
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 94080653
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 107014982
(2-chloro-6-fluorophenyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366289
(2-chloro-6-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56730024
(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 114559410
(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270227

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The IUPAC name of [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone (CID 99630098) is [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone is Cc1c([C@H]2CCCN2C(=O)c2c(O)cccc2F)cnn1C.
What is the InChIKey of [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The InChIKey is IKBUXIADAGRKMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-11(9-18-19(10)2)13-6-4-8-20(13)16(22)15-12(17)5-3-7-14(15)21/h3,5,7,9,13,21H,4,6,8H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone has a molecular weight of 303.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 99630098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).