N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine

C13H23N3S — CID 105104750

IUPACN-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1(C)CCCS1
InChIInChI=1S/C13H23N3S/c1-4-7-14-12(11-9-15-16(3)10-11)13(2)6-5-8-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyYUWMHKKVNJDWCR-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.75
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine

N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine (PubChem CID 105104750) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
PubChem CID105104750
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1(C)CCCS1
InChIInChI=1S/C13H23N3S/c1-4-7-14-12(11-9-15-16(3)10-11)13(2)6-5-8-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyYUWMHKKVNJDWCR-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-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

N-methyl-1-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)methanamine
CID 105104615
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105186138
N-[(4-ethoxyphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105140867
N-[(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105170078
N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
CID 63079873
N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100681
2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105113890
N-[(3-cyclobutylphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105189636
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816322
N-[(3-bromothiophen-2-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105173124
N-[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808792

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine (CID 105104750) is N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)C1(C)CCCS1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine?
The InChIKey is YUWMHKKVNJDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-7-14-12(11-9-15-16(3)10-11)13(2)6-5-8-17-13/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine?
N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105104750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).