1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C10H14FN3O — CID 164642326

IUPAC1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCC[C@@H]1CF
InChIInChI=1S/C10H14FN3O/c11-7-9-3-1-6-14(9)10(15)8-13-5-2-4-12-13/h2,4-5,9H,1,3,6-8H2/t9-/m1/s1
InChIKeyLNQVJSWNTZRXAA-SECBINFHSA-N
MW211.24 g/mol
LogP0.84
Rot. Bonds3

About 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 164642326) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID164642326
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCC[C@@H]1CF
InChIInChI=1S/C10H14FN3O/c11-7-9-3-1-6-14(9)10(15)8-13-5-2-4-12-13/h2,4-5,9H,1,3,6-8H2/t9-/m1/s1
InChIKeyLNQVJSWNTZRXAA-SECBINFHSA-N
XLogP0.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 164642326) is 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCC[C@@H]1CF.
What is the InChIKey of 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is LNQVJSWNTZRXAA-SECBINFHSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-7-9-3-1-6-14(9)10(15)8-13-5-2-4-12-13/h2,4-5,9H,1,3,6-8H2/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 211.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 164642326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).