3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine

C15H23N3S — CID 103011529

IUPAC3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1cscc1C
InChIInChI=1S/C15H23N3S/c1-4-7-16-15(14-11-19-10-12(14)2)6-5-13-8-17-18(3)9-13/h8-11,15-16H,4-7H2,1-3H3
InChIKeyQOSQJCCCQWKWQG-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.46
Rot. Bonds7

About 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine

3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 103011529) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID103011529
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1cscc1C
InChIInChI=1S/C15H23N3S/c1-4-7-16-15(14-11-19-10-12(14)2)6-5-13-8-17-18(3)9-13/h8-11,15-16H,4-7H2,1-3H3
InChIKeyQOSQJCCCQWKWQG-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-amine
CID 103011526
[3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propyl]hydrazine
CID 103025760
1-(2,3-dimethylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030048
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 103008373
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030121
1-(5-methylfuran-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030136
[2-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251829
1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107977898
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011734
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010148

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine (CID 103011529) is 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)c1cscc1C.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is QOSQJCCCQWKWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-7-16-15(14-11-19-10-12(14)2)6-5-13-8-17-18(3)9-13/h8-11,15-16H,4-7H2,1-3H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine?
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103011529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).