N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine

C13H19N3S — CID 113442346

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCCc1ccnn1C
InChIInChI=1S/C13H19N3S/c1-11(10-13-4-3-9-17-13)14-7-5-12-6-8-15-16(12)2/h3-4,6,8-9,11,14H,5,7,10H2,1-2H3
InChIKeyPMYXCZQLMBBYFK-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 113442346) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID113442346
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCCc1ccnn1C
InChIInChI=1S/C13H19N3S/c1-11(10-13-4-3-9-17-13)14-7-5-12-6-8-15-16(12)2/h3-4,6,8-9,11,14H,5,7,10H2,1-2H3
InChIKeyPMYXCZQLMBBYFK-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-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103778177
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine
CID 103002139
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one
CID 63291811

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine (CID 113442346) is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCCc1ccnn1C.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is PMYXCZQLMBBYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-11(10-13-4-3-9-17-13)14-7-5-12-6-8-15-16(12)2/h3-4,6,8-9,11,14H,5,7,10H2,1-2H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine?
N-[2-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 113442346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).