[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C20H24FN3O — CID 95735818

IUPAC[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C20H24FN3O/c1-12-19(13(2)23(3)22-12)18-8-5-9-24(18)20(25)17-11-16(17)14-6-4-7-15(21)10-14/h4,6-7,10,16-18H,5,8-9,11H2,1-3H3/t16-,17-,18+/m1/s1
InChIKeyHNSUYZLKWPXVPD-KURKYZTESA-N
MW341.43 g/mol
LogP3.64
Rot. Bonds3

About [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95735818) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95735818
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C20H24FN3O/c1-12-19(13(2)23(3)22-12)18-8-5-9-24(18)20(25)17-11-16(17)14-6-4-7-15(21)10-14/h4,6-7,10,16-18H,5,8-9,11H2,1-3H3/t16-,17-,18+/m1/s1
InChIKeyHNSUYZLKWPXVPD-KURKYZTESA-N
XLogP3.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95735818) is [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HNSUYZLKWPXVPD-KURKYZTESA-N. The full InChI is InChI=1S/C20H24FN3O/c1-12-19(13(2)23(3)22-12)18-8-5-9-24(18)20(25)17-11-16(17)14-6-4-7-15(21)10-14/h4,6-7,10,16-18H,5,8-9,11H2,1-3H3/t16-,17-,18+/m1/s1.
What are the key properties of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.43 g/mol, XLogP of 3.64, 3 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]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95735818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).