N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine

C12H21N3S — CID 103134725

IUPACN-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)C1(C)CCCS1
InChIInChI=1S/C12H21N3S/c1-4-13-11(10-6-8-15(3)14-10)12(2)7-5-9-16-12/h6,8,11,13H,4-5,7,9H2,1-3H3
InChIKeyNJJYKJFPSQZTCA-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.36
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine

N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 103134725) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID103134725
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)C1(C)CCCS1
InChIInChI=1S/C12H21N3S/c1-4-13-11(10-6-8-15(3)14-10)12(2)7-5-9-16-12/h6,8,11,13H,4-5,7,9H2,1-3H3
InChIKeyNJJYKJFPSQZTCA-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

Analyze N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105148565
N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134773
N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105175075
N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131211
2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105121142
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105184226
N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105161379
N-[(3-methoxy-2-pyridinyl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 114054541
1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103131417
N-[(1-methylpyrazol-4-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105104750

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine (CID 103134725) is N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)C1(C)CCCS1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is NJJYKJFPSQZTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-13-11(10-6-8-15(3)14-10)12(2)7-5-9-16-12/h6,8,11,13H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine?
N-[(1-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-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 103134725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).