N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine

C13H19N3S — CID 62502018

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cnn(CC)c1
InChIInChI=1S/C13H19N3S/c1-3-14-13(8-12-6-5-7-17-12)11-9-15-16(4-2)10-11/h5-7,9-10,13-14H,3-4,8H2,1-2H3
InChIKeyAQTXKEHLGMWYSS-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine

N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine (PubChem CID 62502018) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
PubChem CID62502018
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cnn(CC)c1
InChIInChI=1S/C13H19N3S/c1-3-14-13(8-12-6-5-7-17-12)11-9-15-16(4-2)10-11/h5-7,9-10,13-14H,3-4,8H2,1-2H3
InChIKeyAQTXKEHLGMWYSS-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62797754
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 114649449
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine
CID 114687490
N-ethyl-1-thieno[3,2-b]pyridin-6-yl-2-thiophen-2-ylethanamine
CID 81144170
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyridin-4-ylpropan-1-amine
CID 105109175
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65132015

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine (CID 62502018) is N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1cnn(CC)c1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine?
The InChIKey is AQTXKEHLGMWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-14-13(8-12-6-5-7-17-12)11-9-15-16(4-2)10-11/h5-7,9-10,13-14H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine?
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine has a molecular weight of 249.38 g/mol, XLogP of 2.86, 6 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-thiophen-2-ylethanamine is sourced from PubChem (CID 62502018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).