N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine

C12H16N4O2S — CID 104969986

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
SMILESCc1cnn(CCNc2ncccc2S(C)(=O)=O)c1
InChIInChI=1S/C12H16N4O2S/c1-10-8-15-16(9-10)7-6-14-12-11(19(2,17)18)4-3-5-13-12/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChIKeySLXURTXJFRDASH-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.10
Rot. Bonds5

About N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine

N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 104969986) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
PubChem CID104969986
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
SMILESCc1cnn(CCNc2ncccc2S(C)(=O)=O)c1
InChIInChI=1S/C12H16N4O2S/c1-10-8-15-16(9-10)7-6-14-12-11(19(2,17)18)4-3-5-13-12/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChIKeySLXURTXJFRDASH-UHFFFAOYSA-N
XLogP1.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine (CID 104969986) is N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine is Cc1cnn(CCNc2ncccc2S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is SLXURTXJFRDASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-10-8-15-16(9-10)7-6-14-12-11(19(2,17)18)4-3-5-13-12/h3-5,8-9H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine?
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 104969986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).