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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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).