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

C14H21N3OS — CID 105002642

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
SMILESCCn1nc(C)cc1CC(NC)c1sccc1OC
InChIInChI=1S/C14H21N3OS/c1-5-17-11(8-10(2)16-17)9-12(15-3)14-13(18-4)6-7-19-14/h6-8,12,15H,5,9H2,1-4H3
InChIKeyZKVAMAPSPVNSRS-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.78
Rot. Bonds6

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

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine (PubChem CID 105002642) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
PubChem CID105002642
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
SMILESCCn1nc(C)cc1CC(NC)c1sccc1OC
InChIInChI=1S/C14H21N3OS/c1-5-17-11(8-10(2)16-17)9-12(15-3)14-13(18-4)6-7-19-14/h6-8,12,15H,5,9H2,1-4H3
InChIKeyZKVAMAPSPVNSRS-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 103406541
1-(2,6-dimethyl-4-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 107503544
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105002673
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997024
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115779604
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105162307
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105002740
1-(2-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002601
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002532

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine (CID 105002642) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine is CCn1nc(C)cc1CC(NC)c1sccc1OC.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The InChIKey is ZKVAMAPSPVNSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-17-11(8-10(2)16-17)9-12(15-3)14-13(18-4)6-7-19-14/h6-8,12,15H,5,9H2,1-4H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105002642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).