(2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide

C15H23FN4O2 — CID 120965581

IUPAC(2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCCC(CC)n1ncc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1C
InChIInChI=1S/C15H23FN4O2/c1-4-11(5-2)20-9(3)12(7-18-20)15(22)19-8-10(16)6-13(19)14(17)21/h7,10-11,13H,4-6,8H2,1-3H3,(H2,17,21)/t10-,13+/m1/s1
InChIKeyJXEPINNLZWOXRK-MFKMUULPSA-N
MW310.37 g/mol
LogP1.59
Rot. Bonds5

About (2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 120965581) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID120965581
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Name(2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCCC(CC)n1ncc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1C
InChIInChI=1S/C15H23FN4O2/c1-4-11(5-2)20-9(3)12(7-18-20)15(22)19-8-10(16)6-13(19)14(17)21/h7,10-11,13H,4-6,8H2,1-3H3,(H2,17,21)/t10-,13+/m1/s1
InChIKeyJXEPINNLZWOXRK-MFKMUULPSA-N
XLogP1.59
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.59
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-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide (CID 120965581) is (2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide is CCC(CC)n1ncc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1C.
What is the InChIKey of (2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JXEPINNLZWOXRK-MFKMUULPSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-4-11(5-2)20-9(3)12(7-18-20)15(22)19-8-10(16)6-13(19)14(17)21/h7,10-11,13H,4-6,8H2,1-3H3,(H2,17,21)/t10-,13+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 1.59, 5 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-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120965581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).