[(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H21FN4O2 — CID 120963322

IUPAC[(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1CCn1cccn1)N1CCOCC1
InChIInChI=1S/C14H21FN4O2/c15-12-10-13(14(20)17-6-8-21-9-7-17)18(11-12)4-5-19-3-1-2-16-19/h1-3,12-13H,4-11H2/t12-,13+/m1/s1
InChIKeyVSHACUQBHNNMJI-OLZOCXBDSA-N
MW296.35 g/mol
LogP0.15
Rot. Bonds4

About [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120963322) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120963322
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name[(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1CCn1cccn1)N1CCOCC1
InChIInChI=1S/C14H21FN4O2/c15-12-10-13(14(20)17-6-8-21-9-7-17)18(11-12)4-5-19-3-1-2-16-19/h1-3,12-13H,4-11H2/t12-,13+/m1/s1
InChIKeyVSHACUQBHNNMJI-OLZOCXBDSA-N
XLogP0.15
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120963322) is [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@@H](F)CN1CCn1cccn1)N1CCOCC1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VSHACUQBHNNMJI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H21FN4O2/c15-12-10-13(14(20)17-6-8-21-9-7-17)18(11-12)4-5-19-3-1-2-16-19/h1-3,12-13H,4-11H2/t12-,13+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 296.35 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120963322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).