1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine

C16H25N3S — CID 102806859

IUPAC1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccc(-c2cn(C)nc2C)s1
InChIInChI=1S/C16H25N3S/c1-5-7-14(17-10-6-2)16-9-8-15(20-16)13-11-19(4)18-12(13)3/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyYCTXXLYTGFTPLT-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.30
Rot. Bonds7

About 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine

1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine (PubChem CID 102806859) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine
PubChem CID102806859
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccc(-c2cn(C)nc2C)s1
InChIInChI=1S/C16H25N3S/c1-5-7-14(17-10-6-2)16-9-8-15(20-16)13-11-19(4)18-12(13)3/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyYCTXXLYTGFTPLT-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine
CID 102806864
1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine
CID 102806861
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43438630
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287611
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287799
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43287930

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine?
The IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine (CID 102806859) is 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine.
What is the SMILES notation for 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine?
The canonical SMILES for 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine is CCCNC(CCC)c1ccc(-c2cn(C)nc2C)s1.
What is the InChIKey of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine?
The InChIKey is YCTXXLYTGFTPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-7-14(17-10-6-2)16-9-8-15(20-16)13-11-19(4)18-12(13)3/h8-9,11,14,17H,5-7,10H2,1-4H3.
What are the key properties of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine?
1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine is sourced from PubChem (CID 102806859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).