1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine

C13H19N3S — CID 43204555

IUPAC1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
SMILESCCC(Nc1c(C)nn(C)c1C)c1cccs1
InChIInChI=1S/C13H19N3S/c1-5-11(12-7-6-8-17-12)14-13-9(2)15-16(4)10(13)3/h6-8,11,14H,5H2,1-4H3
InChIKeyZRSGZIDTBMLENQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.66
Rot. Bonds4

About 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine

1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine (PubChem CID 43204555) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
PubChem CID43204555
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
SMILESCCC(Nc1c(C)nn(C)c1C)c1cccs1
InChIInChI=1S/C13H19N3S/c1-5-11(12-7-6-8-17-12)14-13-9(2)15-16(4)10(13)3/h6-8,11,14H,5H2,1-4H3
InChIKeyZRSGZIDTBMLENQ-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propyl]-1,3,5-trimethylpyrazol-4-amine
CID 62632681
N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine
CID 43310036
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8996903
1,3,6-trimethyl-N-[(1S)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873901
1,3,6-trimethyl-N-[(1R)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873902
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8869335
2,3-dimethyl-5-nitro-N-(1-thiophen-2-ylpropyl)imidazol-4-amine
CID 103554809
N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 63001715
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine (CID 43204555) is 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine is CCC(Nc1c(C)nn(C)c1C)c1cccs1.
What is the InChIKey of 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine?
The InChIKey is ZRSGZIDTBMLENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-5-11(12-7-6-8-17-12)14-13-9(2)15-16(4)10(13)3/h6-8,11,14H,5H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine?
1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine has a molecular weight of 249.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine is sourced from PubChem (CID 43204555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).