2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine

C14H18N4O2S — CID 110102004

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine
SMILESCc1cc(-c2cc(C3CCCN3S(C)(=O)=O)ccn2)n[nH]1
InChIInChI=1S/C14H18N4O2S/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)21(2,19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyGLNFUYYOLBHIPM-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.88
Rot. Bonds3

About 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine

2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine (PubChem CID 110102004) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine
PubChem CID110102004
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine
SMILESCc1cc(-c2cc(C3CCCN3S(C)(=O)=O)ccn2)n[nH]1
InChIInChI=1S/C14H18N4O2S/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)21(2,19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyGLNFUYYOLBHIPM-UHFFFAOYSA-N
XLogP1.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine (CID 110102004) is 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine is Cc1cc(-c2cc(C3CCCN3S(C)(=O)=O)ccn2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine?
The InChIKey is GLNFUYYOLBHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)21(2,19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine?
2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine has a molecular weight of 306.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 110102004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).