1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C17H27N3S — CID 105166584

IUPAC1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCCNC(CCc1c(C)nn(C)c1C)c1sccc1C
InChIInChI=1S/C17H27N3S/c1-6-10-18-16(17-12(2)9-11-21-17)8-7-15-13(3)19-20(5)14(15)4/h9,11,16,18H,6-8,10H2,1-5H3
InChIKeyJEUQMBMSTDTUJD-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.08
Rot. Bonds7

About 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105166584) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105166584
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCCNC(CCc1c(C)nn(C)c1C)c1sccc1C
InChIInChI=1S/C17H27N3S/c1-6-10-18-16(17-12(2)9-11-21-17)8-7-15-13(3)19-20(5)14(15)4/h9,11,16,18H,6-8,10H2,1-5H3
InChIKeyJEUQMBMSTDTUJD-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-pyrimidin-5-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105119127
[1-(3-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105322494
1-(3-methylthiophen-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105166519
N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 78860782
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147845
N-[2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115821369
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744
1-cyclobutyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105187556

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105166584) is 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CCCNC(CCc1c(C)nn(C)c1C)c1sccc1C.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is JEUQMBMSTDTUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-6-10-18-16(17-12(2)9-11-21-17)8-7-15-13(3)19-20(5)14(15)4/h9,11,16,18H,6-8,10H2,1-5H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105166584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).