1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one

C11H16FN3O — CID 171097288

IUPAC1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C11H16FN3O/c1-9(7-15-5-2-4-13-15)11(16)14-6-3-10(12)8-14/h2,4-5,9-10H,3,6-8H2,1H3/t9?,10-/m1/s1
InChIKeyKQKRIGKYZZZHGE-QVDQXJPCSA-N
MW225.27 g/mol
LogP1.09
Rot. Bonds3

About 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one

1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (PubChem CID 171097288) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
PubChem CID171097288
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C11H16FN3O/c1-9(7-15-5-2-4-13-15)11(16)14-6-3-10(12)8-14/h2,4-5,9-10H,3,6-8H2,1H3/t9?,10-/m1/s1
InChIKeyKQKRIGKYZZZHGE-QVDQXJPCSA-N
XLogP1.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (CID 171097288) is 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is CC(Cn1cccn1)C(=O)N1CC[C@@H](F)C1.
What is the InChIKey of 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The InChIKey is KQKRIGKYZZZHGE-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-9(7-15-5-2-4-13-15)11(16)14-6-3-10(12)8-14/h2,4-5,9-10H,3,6-8H2,1H3/t9?,10-/m1/s1.
What are the key properties of 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 225.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 171097288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).