5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C11H14N4O2S — CID 104519732

IUPAC5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1-c1ccncc1)S(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-7(18(2,16)17)10-9(11(12)15-14-10)8-3-5-13-6-4-8/h3-7H,1-2H3,(H3,12,14,15)
InChIKeySRJPUUAAYNNAGH-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.16
Rot. Bonds3

About 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 104519732) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID104519732
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1-c1ccncc1)S(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-7(18(2,16)17)10-9(11(12)15-14-10)8-3-5-13-6-4-8/h3-7H,1-2H3,(H3,12,14,15)
InChIKeySRJPUUAAYNNAGH-UHFFFAOYSA-N
XLogP1.16
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 104519732) is 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is CC(c1[nH]nc(N)c1-c1ccncc1)S(C)(=O)=O.
What is the InChIKey of 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is SRJPUUAAYNNAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7(18(2,16)17)10-9(11(12)15-14-10)8-3-5-13-6-4-8/h3-7H,1-2H3,(H3,12,14,15).
What are the key properties of 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 266.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 104519732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).