5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone

C19H22FN3O — CID 164630919

IUPAC5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cnn2c1CCC2
InChIInChI=1S/C19H22FN3O/c1-19(12-14-5-2-6-15(20)11-14)8-4-9-22(19)18(24)16-13-21-23-10-3-7-17(16)23/h2,5-6,11,13H,3-4,7-10,12H2,1H3/t19-/m1/s1
InChIKeyIIQUAAPDHCXHDA-LJQANCHMSA-N
MW327.40 g/mol
LogP3.21
Rot. Bonds3

About 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone

5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone (PubChem CID 164630919) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
PubChem CID164630919
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cnn2c1CCC2
InChIInChI=1S/C19H22FN3O/c1-19(12-14-5-2-6-15(20)11-14)8-4-9-22(19)18(24)16-13-21-23-10-3-7-17(16)23/h2,5-6,11,13H,3-4,7-10,12H2,1H3/t19-/m1/s1
InChIKeyIIQUAAPDHCXHDA-LJQANCHMSA-N
XLogP3.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone (CID 164630919) is 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone is C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cnn2c1CCC2.
What is the InChIKey of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is IIQUAAPDHCXHDA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-19(12-14-5-2-6-15(20)11-14)8-4-9-22(19)18(24)16-13-21-23-10-3-7-17(16)23/h2,5-6,11,13H,3-4,7-10,12H2,1H3/t19-/m1/s1.
What are the key properties of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone?
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 327.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl-[(2R)-2-[(3-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 164630919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).