N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine

C13H19N3S — CID 105137661

IUPACN-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1ccnn1C
InChIInChI=1S/C13H19N3S/c1-3-6-14-12(9-11-5-8-17-10-11)13-4-7-15-16(13)2/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3
InChIKeyAVQHGJXATKCWID-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 105137661) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID105137661
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1ccnn1C
InChIInChI=1S/C13H19N3S/c1-3-6-14-12(9-11-5-8-17-10-11)13-4-7-15-16(13)2/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3
InChIKeyAVQHGJXATKCWID-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105137535
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105148244
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105178677

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 105137661) is N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is AVQHGJXATKCWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-6-14-12(9-11-5-8-17-10-11)13-4-7-15-16(13)2/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105137661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).