5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine

C11H15N3S — CID 79405287

IUPAC5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1ccc(C)s1
InChIInChI=1S/C11H15N3S/c1-3-4-8-10(13-14-11(8)12)9-6-5-7(2)15-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14)
InChIKeyBULSCABFVVFIBC-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.98
Rot. Bonds3

About 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine

5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine (PubChem CID 79405287) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
PubChem CID79405287
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1ccc(C)s1
InChIInChI=1S/C11H15N3S/c1-3-4-8-10(13-14-11(8)12)9-6-5-7(2)15-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14)
InChIKeyBULSCABFVVFIBC-UHFFFAOYSA-N
XLogP2.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-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 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine (CID 79405287) is 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine is CCCc1c(N)n[nH]c1-c1ccc(C)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine?
The InChIKey is BULSCABFVVFIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-4-8-10(13-14-11(8)12)9-6-5-7(2)15-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14).
What are the key properties of 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine?
5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine has a molecular weight of 221.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 79405287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).