4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine

C13H24N4S — CID 43296903

IUPAC4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)C1CCSC1
InChIInChI=1S/C13H24N4S/c1-5-14-8-12-10(2)15-17(4)13(12)16(3)11-6-7-18-9-11/h11,14H,5-9H2,1-4H3
InChIKeyMOEPGJALPUBKBX-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.78
Rot. Bonds5

About 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine

4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine (PubChem CID 43296903) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine
PubChem CID43296903
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)C1CCSC1
InChIInChI=1S/C13H24N4S/c1-5-14-8-12-10(2)15-17(4)13(12)16(3)11-6-7-18-9-11/h11,14H,5-9H2,1-4H3
InChIKeyMOEPGJALPUBKBX-UHFFFAOYSA-N
XLogP1.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N,1,3-trimethyl-N-(3-methylcyclohexyl)pyrazol-5-amine
CID 61447122
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569435
N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280836
N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine
CID 61437594
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
CID 63236600
5-N,3-dimethyl-1-propyl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
CID 66027232
4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(oxolan-3-yl)pyrazol-5-amine
CID 82742332
N-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
CID 43280902
5-N,1-dimethyl-3-propan-2-yl-5-N-(thiolan-3-yl)pyrazole-4,5-diamine
CID 66018191
4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine
CID 63061086
N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 61452073

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine?
The IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine (CID 43296903) is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine is CCNCc1c(C)nn(C)c1N(C)C1CCSC1.
What is the InChIKey of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine?
The InChIKey is MOEPGJALPUBKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-14-8-12-10(2)15-17(4)13(12)16(3)11-6-7-18-9-11/h11,14H,5-9H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine?
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(thiolan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43296903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).