(1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

C13H18FN3O2 — CID 131683196

IUPAC(1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(C[C@H]2[C@@H](O)CCN2C(=O)C2(F)CC2)cn1
InChIInChI=1S/C13H18FN3O2/c1-16-8-9(7-15-16)6-10-11(18)2-5-17(10)12(19)13(14)3-4-13/h7-8,10-11,18H,2-6H2,1H3/t10-,11-/m0/s1
InChIKeyOMJOGFMFXMDVJY-QWRGUYRKSA-N
MW267.30 g/mol
LogP0.43
Rot. Bonds3

About (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

(1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 131683196) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID131683196
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name(1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(C[C@H]2[C@@H](O)CCN2C(=O)C2(F)CC2)cn1
InChIInChI=1S/C13H18FN3O2/c1-16-8-9(7-15-16)6-10-11(18)2-5-17(10)12(19)13(14)3-4-13/h7-8,10-11,18H,2-6H2,1H3/t10-,11-/m0/s1
InChIKeyOMJOGFMFXMDVJY-QWRGUYRKSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 131683196) is (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is Cn1cc(C[C@H]2[C@@H](O)CCN2C(=O)C2(F)CC2)cn1.
What is the InChIKey of (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is OMJOGFMFXMDVJY-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-16-8-9(7-15-16)6-10-11(18)2-5-17(10)12(19)13(14)3-4-13/h7-8,10-11,18H,2-6H2,1H3/t10-,11-/m0/s1.
What are the key properties of (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
(1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 267.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 131683196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).