1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine

C16H21N5S — CID 19627694

IUPAC1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCn1ncc(C(C)NCc2cc(-c3cccs3)n[nH]2)c1C
InChIInChI=1S/C16H21N5S/c1-4-21-12(3)14(10-18-21)11(2)17-9-13-8-15(20-19-13)16-6-5-7-22-16/h5-8,10-11,17H,4,9H2,1-3H3,(H,19,20)
InChIKeyOZIUTVZEVBHPNO-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.51
Rot. Bonds6

About 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine

1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 19627694) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID19627694
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCn1ncc(C(C)NCc2cc(-c3cccs3)n[nH]2)c1C
InChIInChI=1S/C16H21N5S/c1-4-21-12(3)14(10-18-21)11(2)17-9-13-8-15(20-19-13)16-6-5-7-22-16/h5-8,10-11,17H,4,9H2,1-3H3,(H,19,20)
InChIKeyOZIUTVZEVBHPNO-UHFFFAOYSA-N
XLogP3.51
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine
CID 19627680
1-(1,5-dimethylpyrazol-4-yl)-N-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627759
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)ethanamine
CID 19625214
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 19625638
1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 19625587
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627709
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627712
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483
3-(4-chlorophenyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19509481
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine (CID 19627694) is 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine is CCn1ncc(C(C)NCc2cc(-c3cccs3)n[nH]2)c1C.
What is the InChIKey of 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is OZIUTVZEVBHPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-4-21-12(3)14(10-18-21)11(2)17-9-13-8-15(20-19-13)16-6-5-7-22-16/h5-8,10-11,17H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine?
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 315.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 19627694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).