4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine

C15H21N5O2S — CID 125012149

IUPAC4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
SMILESCCn1nccc1-c1cc([C@@H]2CCN(S(C)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C15H21N5O2S/c1-4-20-15(5-7-16-20)14-9-13(17-11(2)18-14)12-6-8-19(10-12)23(3,21)22/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m1/s1
InChIKeyVVLBHLXJSLJGLR-GFCCVEGCSA-N
MW335.43 g/mol
LogP1.42
Rot. Bonds4

About 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine

4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine (PubChem CID 125012149) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
PubChem CID125012149
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
SMILESCCn1nccc1-c1cc([C@@H]2CCN(S(C)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C15H21N5O2S/c1-4-20-15(5-7-16-20)14-9-13(17-11(2)18-14)12-6-8-19(10-12)23(3,21)22/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m1/s1
InChIKeyVVLBHLXJSLJGLR-GFCCVEGCSA-N
XLogP1.42
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine (CID 125012149) is 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine is CCn1nccc1-c1cc([C@@H]2CCN(S(C)(=O)=O)C2)nc(C)n1.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine?
The InChIKey is VVLBHLXJSLJGLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-20-15(5-7-16-20)14-9-13(17-11(2)18-14)12-6-8-19(10-12)23(3,21)22/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine?
4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine has a molecular weight of 335.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 125012149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).