[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C18H20FN3O — CID 95339200

IUPAC[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C18H20FN3O/c19-14-5-1-4-13(10-14)16-11-17(16)18(23)22-9-2-6-15(22)12-21-8-3-7-20-21/h1,3-5,7-8,10,15-17H,2,6,9,11-12H2/t15-,16-,17-/m1/s1
InChIKeyVNJUZTCUNLFJEL-BRWVUGGUSA-N
MW313.38 g/mol
LogP2.82
Rot. Bonds4

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

[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95339200) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95339200
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C18H20FN3O/c19-14-5-1-4-13(10-14)16-11-17(16)18(23)22-9-2-6-15(22)12-21-8-3-7-20-21/h1,3-5,7-8,10,15-17H,2,6,9,11-12H2/t15-,16-,17-/m1/s1
InChIKeyVNJUZTCUNLFJEL-BRWVUGGUSA-N
XLogP2.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602840
[(1R,2R)-2-(3-methylphenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95346973
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 95349545
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129380793
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609165
[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603407
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95317608
[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 71931782
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95352987
2-[(2S)-1-[(1R,2R)-2-(3-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetamide
CID 124786387
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 124736187
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129428643

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95339200) is [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is VNJUZTCUNLFJEL-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-14-5-1-4-13(10-14)16-11-17(16)18(23)22-9-2-6-15(22)12-21-8-3-7-20-21/h1,3-5,7-8,10,15-17H,2,6,9,11-12H2/t15-,16-,17-/m1/s1.
What are the key properties of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 313.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95339200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).