(2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide

C12H19FN4O — CID 155388995

IUPAC(2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(NC(=O)[C@@H]2C[C@@H](F)CN2C)cn1
InChIInChI=1S/C12H19FN4O/c1-8(2)17-7-10(5-14-17)15-12(18)11-4-9(13)6-16(11)3/h5,7-9,11H,4,6H2,1-3H3,(H,15,18)/t9-,11+/m1/s1
InChIKeyIEAOMJJSSBKMSC-KOLCDFICSA-N
MW254.31 g/mol
LogP1.44
Rot. Bonds3

About (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 155388995) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID155388995
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name(2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(NC(=O)[C@@H]2C[C@@H](F)CN2C)cn1
InChIInChI=1S/C12H19FN4O/c1-8(2)17-7-10(5-14-17)15-12(18)11-4-9(13)6-16(11)3/h5,7-9,11H,4,6H2,1-3H3,(H,15,18)/t9-,11+/m1/s1
InChIKeyIEAOMJJSSBKMSC-KOLCDFICSA-N
XLogP1.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide (CID 155388995) is (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide is CC(C)n1cc(NC(=O)[C@@H]2C[C@@H](F)CN2C)cn1.
What is the InChIKey of (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is IEAOMJJSSBKMSC-KOLCDFICSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-8(2)17-7-10(5-14-17)15-12(18)11-4-9(13)6-16(11)3/h5,7-9,11H,4,6H2,1-3H3,(H,15,18)/t9-,11+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 155388995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).