2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine

C10H19N3S — CID 78957770

IUPAC2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1ccn(C)n1
InChIInChI=1S/C10H19N3S/c1-9(8-14-3)6-11-7-10-4-5-13(2)12-10/h4-5,9,11H,6-8H2,1-3H3
InChIKeyIQMDYZAZWSIURO-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.51
Rot. Bonds6

About 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine

2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 78957770) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID78957770
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1ccn(C)n1
InChIInChI=1S/C10H19N3S/c1-9(8-14-3)6-11-7-10-4-5-13(2)12-10/h4-5,9,11H,6-8H2,1-3H3
InChIKeyIQMDYZAZWSIURO-UHFFFAOYSA-N
XLogP1.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine 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

2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile
CID 82881594
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
CID 115623504
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899941
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-2-phenylethanamine
CID 82871683
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79267876
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 115656668

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine (CID 78957770) is 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1ccn(C)n1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is IQMDYZAZWSIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9(8-14-3)6-11-7-10-4-5-13(2)12-10/h4-5,9,11H,6-8H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine?
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 78957770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).