N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine

C11H19N3S — CID 105483316

IUPACN-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(C2CCSCC2)c1
InChIInChI=1S/C11H19N3S/c1-9(12-2)10-7-13-14(8-10)11-3-5-15-6-4-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyMDWPZBVOPIXQLF-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine

N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine (PubChem CID 105483316) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine
PubChem CID105483316
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(C2CCSCC2)c1
InChIInChI=1S/C11H19N3S/c1-9(12-2)10-7-13-14(8-10)11-3-5-15-6-4-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyMDWPZBVOPIXQLF-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine
CID 105483318
1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 62727296
(1R)-1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 94575332
1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
CID 155739616
2-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764977
N-methyl-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]propan-1-amine
CID 105498228
1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123
N-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine
CID 123761196
N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 64738270
N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine
CID 103139387
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
2-(1-piperidin-4-ylpyrazol-4-yl)propan-1-amine
CID 105462321

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine (CID 105483316) is N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine is CNC(C)c1cnn(C2CCSCC2)c1.
What is the InChIKey of N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine?
The InChIKey is MDWPZBVOPIXQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(12-2)10-7-13-14(8-10)11-3-5-15-6-4-11/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine?
N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(thian-4-yl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 105483316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).