N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine

C16H16N4O3S — CID 25261183

IUPACN-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine
SMILESCn1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cn2)n1
InChIInChI=1S/C16H16N4O3S/c1-20-10-9-16(19-20)18-15-8-5-13(11-17-15)23-12-3-6-14(7-4-12)24(2,21)22/h3-11H,1-2H3,(H,17,18,19)
InChIKeyZTCCXKGDNZSZES-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.75
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine

N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine (PubChem CID 25261183) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine
PubChem CID25261183
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine
SMILESCn1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cn2)n1
InChIInChI=1S/C16H16N4O3S/c1-20-10-9-16(19-20)18-15-8-5-13(11-17-15)23-12-3-6-14(7-4-12)24(2,21)22/h3-11H,1-2H3,(H,17,18,19)
InChIKeyZTCCXKGDNZSZES-UHFFFAOYSA-N
XLogP2.75
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine (CID 25261183) is N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine is Cn1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cn2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine?
The InChIKey is ZTCCXKGDNZSZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20-10-9-16(19-20)18-15-8-5-13(11-17-15)23-12-3-6-14(7-4-12)24(2,21)22/h3-11H,1-2H3,(H,17,18,19).
What are the key properties of N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine?
N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine has a molecular weight of 344.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-5-(4-methylsulfonylphenoxy)pyridin-2-amine is sourced from PubChem (CID 25261183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).