1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine

C13H13N3S2 — CID 60809961

IUPAC1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cc(-c3cccs3)cs2)n1
InChIInChI=1S/C13H13N3S2/c1-16-5-4-13(15-16)14-8-11-7-10(9-18-11)12-3-2-6-17-12/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyUJGARWRXNLAHHY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.82
Rot. Bonds4

About 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine

1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 60809961) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID60809961
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cc(-c3cccs3)cs2)n1
InChIInChI=1S/C13H13N3S2/c1-16-5-4-13(15-16)14-8-11-7-10(9-18-11)12-3-2-6-17-12/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyUJGARWRXNLAHHY-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(4-thiophen-2-ylthiophen-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 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine (CID 60809961) is 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine is Cn1ccc(NCc2cc(-c3cccs3)cs2)n1.
What is the InChIKey of 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is UJGARWRXNLAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-16-5-4-13(15-16)14-8-11-7-10(9-18-11)12-3-2-6-17-12/h2-7,9H,8H2,1H3,(H,14,15).
What are the key properties of 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine?
1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 275.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 60809961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).