[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone

C19H24FN3O2 — CID 129345875

IUPAC[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1CC(C)C
InChIInChI=1S/C19H24FN3O2/c1-12(2)10-23-13(3)17(9-21-23)19(25)22-11-16(24)8-18(22)14-4-6-15(20)7-5-14/h4-7,9,12,16,18,24H,8,10-11H2,1-3H3/t16-,18-/m1/s1
InChIKeyAMLFRMABKNIKAA-SJLPKXTDSA-N
MW345.42 g/mol
LogP2.93
Rot. Bonds4

About [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone

[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone (PubChem CID 129345875) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
PubChem CID129345875
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1CC(C)C
InChIInChI=1S/C19H24FN3O2/c1-12(2)10-23-13(3)17(9-21-23)19(25)22-11-16(24)8-18(22)14-4-6-15(20)7-5-14/h4-7,9,12,16,18,24H,8,10-11H2,1-3H3/t16-,18-/m1/s1
InChIKeyAMLFRMABKNIKAA-SJLPKXTDSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 128989989
(1,3-dimethylpyrazol-4-yl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100670652
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methyl-1-propan-2-ylpyrazol-4-yl)methanone
CID 129346282
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 100670910
[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone
CID 100670956
(3-chloro-4-pyridinyl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352274
5-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 100670755
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
CID 100666286
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 129352200
(2,6-dimethylpyrimidin-4-yl)-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129346647
(2,6-dimethylpyrimidin-4-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129346644
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-4-yl)methanone
CID 100671336

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone?
The IUPAC name of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone (CID 129345875) is [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone is Cc1c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1CC(C)C.
What is the InChIKey of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone?
The InChIKey is AMLFRMABKNIKAA-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(2)10-23-13(3)17(9-21-23)19(25)22-11-16(24)8-18(22)14-4-6-15(20)7-5-14/h4-7,9,12,16,18,24H,8,10-11H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone?
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 129345875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).