N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

C15H23N3S — CID 131928446

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(CN(CC)Cc2cnn(CC)c2)s1
InChIInChI=1S/C15H23N3S/c1-4-14-7-8-15(19-14)12-17(5-2)10-13-9-16-18(6-3)11-13/h7-9,11H,4-6,10,12H2,1-3H3
InChIKeyHIPFKBCDWGRXMB-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.55
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 131928446) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID131928446
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(CN(CC)Cc2cnn(CC)c2)s1
InChIInChI=1S/C15H23N3S/c1-4-14-7-8-15(19-14)12-17(5-2)10-13-9-16-18(6-3)11-13/h7-9,11H,4-6,10,12H2,1-3H3
InChIKeyHIPFKBCDWGRXMB-UHFFFAOYSA-N
XLogP3.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (CID 131928446) is N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is CCc1ccc(CN(CC)Cc2cnn(CC)c2)s1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is HIPFKBCDWGRXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-14-7-8-15(19-14)12-17(5-2)10-13-9-16-18(6-3)11-13/h7-9,11H,4-6,10,12H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 277.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 131928446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).