1-butyl-3-thiophen-2-ylpyrazol-5-amine

C11H15N3S — CID 61270917

IUPAC1-butyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCCCCn1nc(-c2cccs2)cc1N
InChIInChI=1S/C11H15N3S/c1-2-3-6-14-11(12)8-9(13-14)10-5-4-7-15-10/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyNDMWOWOTFIEBEH-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.99
Rot. Bonds4

About 1-butyl-3-thiophen-2-ylpyrazol-5-amine

1-butyl-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 61270917) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-butyl-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-butyl-3-thiophen-2-ylpyrazol-5-amine
PubChem CID61270917
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-butyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCCCCn1nc(-c2cccs2)cc1N
InChIInChI=1S/C11H15N3S/c1-2-3-6-14-11(12)8-9(13-14)10-5-4-7-15-10/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyNDMWOWOTFIEBEH-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-3-thiophen-2-ylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-butyl-3-thiophen-2-ylpyrazol-5-amine (CID 61270917) is 1-butyl-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-butyl-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-butyl-3-thiophen-2-ylpyrazol-5-amine is CCCCn1nc(-c2cccs2)cc1N.
What is the InChIKey of 1-butyl-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is NDMWOWOTFIEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-3-6-14-11(12)8-9(13-14)10-5-4-7-15-10/h4-5,7-8H,2-3,6,12H2,1H3.
What are the key properties of 1-butyl-3-thiophen-2-ylpyrazol-5-amine?
1-butyl-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 221.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 61270917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).