[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C19H23FN4O — CID 129428155

IUPAC[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H23FN4O/c1-22-10-3-7-17(22)18-8-4-11-23(18)19(25)16-9-12-24(21-16)15-6-2-5-14(20)13-15/h2,5-6,9,12-13,17-18H,3-4,7-8,10-11H2,1H3/t17-,18+/m0/s1
InChIKeyPWRWGHYANKOMFG-ZWKOTPCHSA-N
MW342.42 g/mol
LogP2.71
Rot. Bonds3

About [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 129428155) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID129428155
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H23FN4O/c1-22-10-3-7-17(22)18-8-4-11-23(18)19(25)16-9-12-24(21-16)15-6-2-5-14(20)13-15/h2,5-6,9,12-13,17-18H,3-4,7-8,10-11H2,1H3/t17-,18+/m0/s1
InChIKeyPWRWGHYANKOMFG-ZWKOTPCHSA-N
XLogP2.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
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[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
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CID 124573470
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[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 129428155) is [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is PWRWGHYANKOMFG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-22-10-3-7-17(22)18-8-4-11-23(18)19(25)16-9-12-24(21-16)15-6-2-5-14(20)13-15/h2,5-6,9,12-13,17-18H,3-4,7-8,10-11H2,1H3/t17-,18+/m0/s1.
What are the key properties of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129428155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).