2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine

C14H19N5O2S — CID 164632838

IUPAC2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine
SMILESCC(C)n1cc(S(=O)(=O)N2CCC[C@H]2c2ncccn2)cn1
InChIInChI=1S/C14H19N5O2S/c1-11(2)18-10-12(9-17-18)22(20,21)19-8-3-5-13(19)14-15-6-4-7-16-14/h4,6-7,9-11,13H,3,5,8H2,1-2H3/t13-/m0/s1
InChIKeyLIKSFUCYAVTGEV-ZDUSSCGKSA-N
MW321.41 g/mol
LogP1.78
Rot. Bonds4

About 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine

2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine (PubChem CID 164632838) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine
PubChem CID164632838
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine
SMILESCC(C)n1cc(S(=O)(=O)N2CCC[C@H]2c2ncccn2)cn1
InChIInChI=1S/C14H19N5O2S/c1-11(2)18-10-12(9-17-18)22(20,21)19-8-3-5-13(19)14-15-6-4-7-16-14/h4,6-7,9-11,13H,3,5,8H2,1-2H3/t13-/m0/s1
InChIKeyLIKSFUCYAVTGEV-ZDUSSCGKSA-N
XLogP1.78
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine?
The IUPAC name of 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine (CID 164632838) is 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine is CC(C)n1cc(S(=O)(=O)N2CCC[C@H]2c2ncccn2)cn1.
What is the InChIKey of 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine?
The InChIKey is LIKSFUCYAVTGEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11(2)18-10-12(9-17-18)22(20,21)19-8-3-5-13(19)14-15-6-4-7-16-14/h4,6-7,9-11,13H,3,5,8H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine?
2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine has a molecular weight of 321.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 164632838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).