N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine

C12H21N3S — CID 105148565

IUPACN-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1C)C1(C)CCCS1
InChIInChI=1S/C12H21N3S/c1-4-13-11(10-6-8-14-15(10)3)12(2)7-5-9-16-12/h6,8,11,13H,4-5,7,9H2,1-3H3
InChIKeyGZTHAMRYKIVTLU-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.36
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine

N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 105148565) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID105148565
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1C)C1(C)CCCS1
InChIInChI=1S/C12H21N3S/c1-4-13-11(10-6-8-14-15(10)3)12(2)7-5-9-16-12/h6,8,11,13H,4-5,7,9H2,1-3H3
InChIKeyGZTHAMRYKIVTLU-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105307514
N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858855
N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 103134725
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
N-[(2-methylthiolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102710043
N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 114054541
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105184226
N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107188819
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105186138
N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105104750
N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
CID 79080561

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine (CID 105148565) is N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine is CCNC(c1ccnn1C)C1(C)CCCS1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is GZTHAMRYKIVTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-13-11(10-6-8-14-15(10)3)12(2)7-5-9-16-12/h6,8,11,13H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine?
N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 105148565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).