[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C22H22FN3O2 — CID 39678742

IUPAC[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C22H22FN3O2/c1-15-20(14-24-26(15)18-9-7-17(23)8-10-18)22(27)25-13-3-4-21(25)16-5-11-19(28-2)12-6-16/h5-12,14,21H,3-4,13H2,1-2H3/t21-/m0/s1
InChIKeyGYROASLSCOJYSF-NRFANRHFSA-N
MW379.44 g/mol
LogP4.31
Rot. Bonds4

About [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 39678742) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID39678742
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C22H22FN3O2/c1-15-20(14-24-26(15)18-9-7-17(23)8-10-18)22(27)25-13-3-4-21(25)16-5-11-19(28-2)12-6-16/h5-12,14,21H,3-4,13H2,1-2H3/t21-/m0/s1
InChIKeyGYROASLSCOJYSF-NRFANRHFSA-N
XLogP4.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 95977610
(7-fluoro-2-methylquinolin-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 18127031
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 20895587
(4aR,7aS)-1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 120684198
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 39976399
ethyl 5-methyl-1-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 43065113
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 51299278
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032264
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2810787

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 39678742) is [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GYROASLSCOJYSF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-20(14-24-26(15)18-9-7-17(23)8-10-18)22(27)25-13-3-4-21(25)16-5-11-19(28-2)12-6-16/h5-12,14,21H,3-4,13H2,1-2H3/t21-/m0/s1.
What are the key properties of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 379.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 39678742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).