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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Related Compounds

5,7-Dimethyl-2-(methylthio)-3-(phenylsulfonyl)(6-pyrid in-3-yloxy)pyrazolo[1,5-a]pyrimidine
CID 58357663
(1-Ethyl-1H-pyrazol-4-yl)-[8-(4-methanesulfonyl-phenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine
CID 67481390
[8-(4-Methanesulfonyl-phenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 67481409
[8-(4-Methanesulfonyl-phenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(1-(2-pyrrolidin-1-yl-ethyl)-1H-pyrazol-4-yl]-amine
CID 68775738
N-(4-((6-(1H-pyrazol-1-yl)pyridazin-3-yl)amino)phenyl)-4-ethoxybenzenesulfonamide
CID 16839241
5-Methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 22499732
4-(difluoromethoxy)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
CID 90285786
4-N-[5-ethylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-6-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine
CID 159810814
2-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxy-6-(1-methylpyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169156045
2-(3-fluoro-4-methylsulfonylphenoxy)-5-methoxy-6-(1-methylpyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169156093
2-(2-fluoro-4-methylsulfonylphenoxy)-5-methoxy-N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 172557726
(Z)-3-amino-N'-[6-(2-fluoro-4-methylsulfinylanilino)-3-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]but-2-enimidamide
CID 176770896

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).