N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine

C12H23N3S — CID 65132015

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1cnn(CC)c1
InChIInChI=1S/C12H23N3S/c1-5-13-12(9-16-10(3)4)11-7-14-15(6-2)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3
InChIKeyIPCJTYYTQCRSOM-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.70
Rot. Bonds7

About N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine

N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine (PubChem CID 65132015) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
PubChem CID65132015
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1cnn(CC)c1
InChIInChI=1S/C12H23N3S/c1-5-13-12(9-16-10(3)4)11-7-14-15(6-2)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3
InChIKeyIPCJTYYTQCRSOM-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine (CID 65132015) is N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine is CCNC(CSC(C)C)c1cnn(CC)c1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is IPCJTYYTQCRSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-13-12(9-16-10(3)4)11-7-14-15(6-2)8-11/h7-8,10,12-13H,5-6,9H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine?
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 241.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 65132015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).