1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine

C12H17N3S — CID 43543323

IUPAC1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
SMILESCCC(Nc1cnn(CC)c1)c1cccs1
InChIInChI=1S/C12H17N3S/c1-3-11(12-6-5-7-16-12)14-10-8-13-15(4-2)9-10/h5-9,11,14H,3-4H2,1-2H3
InChIKeyGURZWUNQEXHGBW-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.53
Rot. Bonds5

About 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine

1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine (PubChem CID 43543323) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
PubChem CID43543323
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
SMILESCCC(Nc1cnn(CC)c1)c1cccs1
InChIInChI=1S/C12H17N3S/c1-3-11(12-6-5-7-16-12)14-10-8-13-15(4-2)9-10/h5-9,11,14H,3-4H2,1-2H3
InChIKeyGURZWUNQEXHGBW-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine (CID 43543323) is 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine is CCC(Nc1cnn(CC)c1)c1cccs1.
What is the InChIKey of 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine?
The InChIKey is GURZWUNQEXHGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-11(12-6-5-7-16-12)14-10-8-13-15(4-2)9-10/h5-9,11,14H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine?
1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine has a molecular weight of 235.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine is sourced from PubChem (CID 43543323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).