2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine

C9H11N3S — CID 2535078

IUPAC2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
SMILESCc1ccsc1Cn1nccc1N
InChIInChI=1S/C9H11N3S/c1-7-3-5-13-8(7)6-12-9(10)2-4-11-12/h2-5H,6,10H2,1H3
InChIKeyHGJOWZGJGPNKFF-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.88
Rot. Bonds2

About 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine

2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 2535078) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID2535078
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
SMILESCc1ccsc1Cn1nccc1N
InChIInChI=1S/C9H11N3S/c1-7-3-5-13-8(7)6-12-9(10)2-4-11-12/h2-5H,6,10H2,1H3
InChIKeyHGJOWZGJGPNKFF-UHFFFAOYSA-N
XLogP1.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methylthiophen-2-yl)methyl]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 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine (CID 2535078) is 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine is Cc1ccsc1Cn1nccc1N.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is HGJOWZGJGPNKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-3-5-13-8(7)6-12-9(10)2-4-11-12/h2-5H,6,10H2,1H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine?
2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 193.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 2535078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).