[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

C22H22FN3O — CID 55877287

IUPAC[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccn(-c2ccccc2F)n1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C22H22FN3O/c23-19-10-4-5-11-21(19)26-16-14-20(24-26)22(27)25-15-6-9-18(25)13-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,14,16,18H,6,9,12-13,15H2
InChIKeyBLHBGQXZNHBMQB-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.25
Rot. Bonds5

About [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 55877287) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID55877287
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccn(-c2ccccc2F)n1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C22H22FN3O/c23-19-10-4-5-11-21(19)26-16-14-20(24-26)22(27)25-15-6-9-18(25)13-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,14,16,18H,6,9,12-13,15H2
InChIKeyBLHBGQXZNHBMQB-UHFFFAOYSA-N
XLogP4.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-aminophenyl)pyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210007
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124689358
[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 97006193
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 95126660
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118645
(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 95578829
N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94671551

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 55877287) is [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is O=C(c1ccn(-c2ccccc2F)n1)N1CCCC1CCc1ccccc1.
What is the InChIKey of [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BLHBGQXZNHBMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-10-4-5-11-21(19)26-16-14-20(24-26)22(27)25-15-6-9-18(25)13-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,14,16,18H,6,9,12-13,15H2.
What are the key properties of [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 363.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55877287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).