(2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide

C12H19FN4O — CID 120965743

IUPAC(2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCCn1cc(CCN2C[C@H](F)C[C@H]2C(N)=O)cn1
InChIInChI=1S/C12H19FN4O/c1-2-17-7-9(6-15-17)3-4-16-8-10(13)5-11(16)12(14)18/h6-7,10-11H,2-5,8H2,1H3,(H2,14,18)/t10-,11+/m1/s1
InChIKeyXWPSKNGXSJQGGH-MNOVXSKESA-N
MW254.31 g/mol
LogP0.34
Rot. Bonds5

About (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120965743) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID120965743
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name(2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCCn1cc(CCN2C[C@H](F)C[C@H]2C(N)=O)cn1
InChIInChI=1S/C12H19FN4O/c1-2-17-7-9(6-15-17)3-4-16-8-10(13)5-11(16)12(14)18/h6-7,10-11H,2-5,8H2,1H3,(H2,14,18)/t10-,11+/m1/s1
InChIKeyXWPSKNGXSJQGGH-MNOVXSKESA-N
XLogP0.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide (CID 120965743) is (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide is CCn1cc(CCN2C[C@H](F)C[C@H]2C(N)=O)cn1.
What is the InChIKey of (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is XWPSKNGXSJQGGH-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-17-7-9(6-15-17)3-4-16-8-10(13)5-11(16)12(14)18/h6-7,10-11H,2-5,8H2,1H3,(H2,14,18)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120965743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).