1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine

C13H19N3S — CID 105154877

IUPAC1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCC(C)n1ccc(CC(N)Cc2ccsc2)n1
InChIInChI=1S/C13H19N3S/c1-10(2)16-5-3-13(15-16)8-12(14)7-11-4-6-17-9-11/h3-6,9-10,12H,7-8,14H2,1-2H3
InChIKeyVCEUUXPUDZHPHD-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.64
Rot. Bonds5

About 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine

1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 105154877) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
PubChem CID105154877
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCC(C)n1ccc(CC(N)Cc2ccsc2)n1
InChIInChI=1S/C13H19N3S/c1-10(2)16-5-3-13(15-16)8-12(14)7-11-4-6-17-9-11/h3-6,9-10,12H,7-8,14H2,1-2H3
InChIKeyVCEUUXPUDZHPHD-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154784
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 65136247
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
CID 105158832
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-propan-2-yl-3-thiophen-3-ylpyrazole
CID 89311122
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine (CID 105154877) is 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine is CC(C)n1ccc(CC(N)Cc2ccsc2)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is VCEUUXPUDZHPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(2)16-5-3-13(15-16)8-12(14)7-11-4-6-17-9-11/h3-6,9-10,12H,7-8,14H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine?
1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105154877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).