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

C13H18N4O2S — CID 114599022

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
SMILESCCc1nn(C)cc1CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C13H18N4O2S/c1-4-11-10(9-17(2)16-11)8-15-13-12(20(3,18)19)6-5-7-14-13/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyHHZSPWILOZRSTG-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.39
Rot. Bonds5

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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 114599022) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
PubChem CID114599022
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
SMILESCCc1nn(C)cc1CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C13H18N4O2S/c1-4-11-10(9-17(2)16-11)8-15-13-12(20(3,18)19)6-5-7-14-13/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyHHZSPWILOZRSTG-UHFFFAOYSA-N
XLogP1.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 112549966
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 115990474
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106546673
3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 114598698
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 106544213
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine
CID 106579501
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 112549539
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine
CID 115887018

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine (CID 114599022) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine is CCc1nn(C)cc1CNc1ncccc1S(C)(=O)=O.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is HHZSPWILOZRSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-11-10(9-17(2)16-11)8-15-13-12(20(3,18)19)6-5-7-14-13/h5-7,9H,4,8H2,1-3H3,(H,14,15).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 294.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114599022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).