N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine

C11H19N3S — CID 80584425

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
SMILESCc1c(CNCC2CCCS2)cnn1C
InChIInChI=1S/C11H19N3S/c1-9-10(7-13-14(9)2)6-12-8-11-4-3-5-15-11/h7,11-12H,3-6,8H2,1-2H3
InChIKeyGLLQEKIZGFXLAI-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.71
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine (PubChem CID 80584425) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
PubChem CID80584425
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
SMILESCc1c(CNCC2CCCS2)cnn1C
InChIInChI=1S/C11H19N3S/c1-9-10(7-13-14(9)2)6-12-8-11-4-3-5-15-11/h7,11-12H,3-6,8H2,1-2H3
InChIKeyGLLQEKIZGFXLAI-UHFFFAOYSA-N
XLogP1.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-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-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79578829
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79579340
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 79579425
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80599879
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982
N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
1-(4-cyclopropylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103528046
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600144
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
CID 79578616
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[(4-methylphenyl)methyl]-1-(thian-2-yl)methanamine
CID 80600045
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine (CID 80584425) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine is Cc1c(CNCC2CCCS2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine?
The InChIKey is GLLQEKIZGFXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-10(7-13-14(9)2)6-12-8-11-4-3-5-15-11/h7,11-12H,3-6,8H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine is sourced from PubChem (CID 80584425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).