N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide

C10H18N4O3S — CID 113430305

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCn1cc(CN)c(NC(=O)C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O3S/c1-10(2,18(4,16)17)9(15)12-8-7(5-11)6-14(3)13-8/h6H,5,11H2,1-4H3,(H,12,13,15)
InChIKeyVQCIETQHMIECJZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.36
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 113430305) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID113430305
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCn1cc(CN)c(NC(=O)C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O3S/c1-10(2,18(4,16)17)9(15)12-8-7(5-11)6-14(3)13-8/h6H,5,11H2,1-4H3,(H,12,13,15)
InChIKeyVQCIETQHMIECJZ-UHFFFAOYSA-N
XLogP-0.36
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801083
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 104592792
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
CID 102921219
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylimidazole-4-carboxamide
CID 103510244
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 104592707
1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
CID 104593006
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
CID 104592785
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 104592838
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040762
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide (CID 113430305) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide is Cn1cc(CN)c(NC(=O)C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is VQCIETQHMIECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-10(2,18(4,16)17)9(15)12-8-7(5-11)6-14(3)13-8/h6H,5,11H2,1-4H3,(H,12,13,15).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 274.35 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 113430305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).