1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine

C12H17N3S — CID 115970342

IUPAC1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
SMILESCc1[nH]ncc1C(C)NCCc1cccs1
InChIInChI=1S/C12H17N3S/c1-9(12-8-14-15-10(12)2)13-6-5-11-4-3-7-16-11/h3-4,7-9,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyKQMMRIQLIJSYBD-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.67
Rot. Bonds5

About 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine

1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine (PubChem CID 115970342) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
PubChem CID115970342
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
SMILESCc1[nH]ncc1C(C)NCCc1cccs1
InChIInChI=1S/C12H17N3S/c1-9(12-8-14-15-10(12)2)13-6-5-11-4-3-7-16-11/h3-4,7-9,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyKQMMRIQLIJSYBD-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 115974600
N-(dithiophen-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62040679
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 43201413
N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine
CID 68813363
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine (CID 115970342) is 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine is Cc1[nH]ncc1C(C)NCCc1cccs1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine?
The InChIKey is KQMMRIQLIJSYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(12-8-14-15-10(12)2)13-6-5-11-4-3-7-16-11/h3-4,7-9,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine?
1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 115970342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).