N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine

C13H19N3S — CID 103778177

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCCc1cnn(C)c1
InChIInChI=1S/C13H19N3S/c1-11(8-13-4-3-7-17-13)14-6-5-12-9-15-16(2)10-12/h3-4,7,9-11,14H,5-6,8H2,1-2H3
InChIKeyXGAZQYRSHQTAGE-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine

N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 103778177) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID103778177
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCCc1cnn(C)c1
InChIInChI=1S/C13H19N3S/c1-11(8-13-4-3-7-17-13)14-6-5-12-9-15-16(2)10-12/h3-4,7,9-11,14H,5-6,8H2,1-2H3
InChIKeyXGAZQYRSHQTAGE-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 113442346
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105113681
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
1-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111066876
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314
4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 80682006
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349001
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 51083632

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine (CID 103778177) is N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCCc1cnn(C)c1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is XGAZQYRSHQTAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-11(8-13-4-3-7-17-13)14-6-5-12-9-15-16(2)10-12/h3-4,7,9-11,14H,5-6,8H2,1-2H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine?
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 103778177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).