2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine

C15H23N3S — CID 105002673

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cc(C)nn2CC)NC)s1
InChIInChI=1S/C15H23N3S/c1-5-13-7-8-15(19-13)14(16-4)10-12-9-11(3)17-18(12)6-2/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyNYQCVLVZJDDMDB-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 105002673) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID105002673
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cc(C)nn2CC)NC)s1
InChIInChI=1S/C15H23N3S/c1-5-13-7-8-15(19-13)14(16-4)10-12-9-11(3)17-18(12)6-2/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyNYQCVLVZJDDMDB-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002532
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
1-(2,6-dimethyl-4-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 107503544
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105002740
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105162307
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105002642
1-(2-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002601
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530675
1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43480719
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 103406541
1-(3-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002588
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105001762

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 105002673) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(C(Cc2cc(C)nn2CC)NC)s1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is NYQCVLVZJDDMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-13-7-8-15(19-13)14(16-4)10-12-9-11(3)17-18(12)6-2/h7-9,14,16H,5-6,10H2,1-4H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 277.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105002673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).