N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine

C11H15N3O3S — CID 165481352

IUPACN-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(Cn2cc(S(C)(=O)=O)cn2)o1
InChIInChI=1S/C11H15N3O3S/c1-12-5-9-3-4-10(17-9)7-14-8-11(6-13-14)18(2,15)16/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeyGHGHFPVYFJODHG-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.65
Rot. Bonds5

About N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine

N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 165481352) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
PubChem CID165481352
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(Cn2cc(S(C)(=O)=O)cn2)o1
InChIInChI=1S/C11H15N3O3S/c1-12-5-9-3-4-10(17-9)7-14-8-11(6-13-14)18(2,15)16/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeyGHGHFPVYFJODHG-UHFFFAOYSA-N
XLogP0.65
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
CID 62771530
4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine
CID 66929437
4-fluoro-2-[(4-methylsulfonylpyrazol-1-yl)methyl]aniline
CID 165472918
[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
CID 165477574
6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 165480007
3-[(4-methylsulfonylpyrazol-1-yl)methyl]aniline
CID 165480925
[2-chloro-3-[(4-methylsulfonylpyrazol-1-yl)methyl]phenyl]methanamine
CID 165479602
N-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62441140
N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine
CID 62484331
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine (CID 165481352) is N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine is CNCc1ccc(Cn2cc(S(C)(=O)=O)cn2)o1.
What is the InChIKey of N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is GHGHFPVYFJODHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-12-5-9-3-4-10(17-9)7-14-8-11(6-13-14)18(2,15)16/h3-4,6,8,12H,5,7H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 269.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 165481352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).