(2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide

C13H19FN4O2 — CID 120965406

IUPAC(2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide
SMILESCC(C)(C)n1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cn1
InChIInChI=1S/C13H19FN4O2/c1-13(2,3)18-6-8(5-16-18)12(20)17-7-9(14)4-10(17)11(15)19/h5-6,9-10H,4,7H2,1-3H3,(H2,15,19)/t9-,10+/m1/s1
InChIKeyUNTUXTCPPKPVJO-ZJUUUORDSA-N
MW282.32 g/mol
LogP0.68
Rot. Bonds2

About (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120965406) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID120965406
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name(2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide
SMILESCC(C)(C)n1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cn1
InChIInChI=1S/C13H19FN4O2/c1-13(2,3)18-6-8(5-16-18)12(20)17-7-9(14)4-10(17)11(15)19/h5-6,9-10H,4,7H2,1-3H3,(H2,15,19)/t9-,10+/m1/s1
InChIKeyUNTUXTCPPKPVJO-ZJUUUORDSA-N
XLogP0.68
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide (CID 120965406) is (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide is CC(C)(C)n1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cn1.
What is the InChIKey of (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is UNTUXTCPPKPVJO-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-13(2,3)18-6-8(5-16-18)12(20)17-7-9(14)4-10(17)11(15)19/h5-6,9-10H,4,7H2,1-3H3,(H2,15,19)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120965406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).