3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine

C13H19N3S — CID 79406046

IUPAC3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2ccc(CC)s2)nn(C)c1N
InChIInChI=1S/C13H19N3S/c1-4-6-10-12(15-16(3)13(10)14)11-8-7-9(5-2)17-11/h7-8H,4-6,14H2,1-3H3
InChIKeyQFYFSXMPOZYEDG-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.25
Rot. Bonds4

About 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine

3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine (PubChem CID 79406046) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine
PubChem CID79406046
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2ccc(CC)s2)nn(C)c1N
InChIInChI=1S/C13H19N3S/c1-4-6-10-12(15-16(3)13(10)14)11-8-7-9(5-2)17-11/h7-8H,4-6,14H2,1-3H3
InChIKeyQFYFSXMPOZYEDG-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine (CID 79406046) is 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine is CCCc1c(-c2ccc(CC)s2)nn(C)c1N.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is QFYFSXMPOZYEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-6-10-12(15-16(3)13(10)14)11-8-7-9(5-2)17-11/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine?
3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 249.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79406046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).