N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine

C12H16N4O2S — CID 103930510

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCCn1cc(CNc2ccc(S(C)(=O)=O)nc2)cn1
InChIInChI=1S/C12H16N4O2S/c1-3-16-9-10(7-15-16)6-13-11-4-5-12(14-8-11)19(2,17)18/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyNLIOLDMNSDQLNY-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.31
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine

N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 103930510) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
PubChem CID103930510
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCCn1cc(CNc2ccc(S(C)(=O)=O)nc2)cn1
InChIInChI=1S/C12H16N4O2S/c1-3-16-9-10(7-15-16)6-13-11-4-5-12(14-8-11)19(2,17)18/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyNLIOLDMNSDQLNY-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
CID 133374077
N-[(1-ethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 103823647
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
N-[(1-ethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103569272
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675178
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
N-[(1-ethylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 103823635

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine (CID 103930510) is N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine is CCn1cc(CNc2ccc(S(C)(=O)=O)nc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is NLIOLDMNSDQLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-16-9-10(7-15-16)6-13-11-4-5-12(14-8-11)19(2,17)18/h4-5,7-9,13H,3,6H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 280.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 103930510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).