N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine

C11H19N3S — CID 105104615

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine
SMILESCNC(c1cnn(C)c1)C1(C)CCCS1
InChIInChI=1S/C11H19N3S/c1-11(5-4-6-15-11)10(12-2)9-7-13-14(3)8-9/h7-8,10,12H,4-6H2,1-3H3
InChIKeyUXOFTNRKFVFZKZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.97
Rot. Bonds3

About N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine

N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine (PubChem CID 105104615) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine
PubChem CID105104615
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine
SMILESCNC(c1cnn(C)c1)C1(C)CCCS1
InChIInChI=1S/C11H19N3S/c1-11(5-4-6-15-11)10(12-2)9-7-13-14(3)8-9/h7-8,10,12H,4-6H2,1-3H3
InChIKeyUXOFTNRKFVFZKZ-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-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-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105104750
N,N-dimethyl-1-[methylamino-(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79069835
1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105146736
1-(3,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105142071
2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105113890
2-(1-methylpyrazol-4-yl)-2-[(2-methylthiolane-2-carbonyl)amino]acetic acid
CID 115288272
[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105307514
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65390436
N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 103134725
N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105148565
[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288735
N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808792

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine (CID 105104615) is N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine is CNC(c1cnn(C)c1)C1(C)CCCS1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine?
The InChIKey is UXOFTNRKFVFZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(5-4-6-15-11)10(12-2)9-7-13-14(3)8-9/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 105104615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).