1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea

C9H10N4OS — CID 100675471

IUPAC1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea
SMILESCn1nccc1NC(=O)Nc1ccsc1
InChIInChI=1S/C9H10N4OS/c1-13-8(2-4-10-13)12-9(14)11-7-3-5-15-6-7/h2-6H,1H3,(H2,11,12,14)
InChIKeyJDXQCGNLEUFUDE-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.13
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea

1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea (PubChem CID 100675471) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea
PubChem CID100675471
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea
SMILESCn1nccc1NC(=O)Nc1ccsc1
InChIInChI=1S/C9H10N4OS/c1-13-8(2-4-10-13)12-9(14)11-7-3-5-15-6-7/h2-6H,1H3,(H2,11,12,14)
InChIKeyJDXQCGNLEUFUDE-UHFFFAOYSA-N
XLogP2.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea 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-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea (CID 100675471) is 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea is Cn1nccc1NC(=O)Nc1ccsc1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea?
The InChIKey is JDXQCGNLEUFUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-13-8(2-4-10-13)12-9(14)11-7-3-5-15-6-7/h2-6H,1H3,(H2,11,12,14).
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea?
1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea has a molecular weight of 222.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-thiophen-3-ylurea is sourced from PubChem (CID 100675471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).