1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea

C13H16N4OS — CID 167849064

IUPAC1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea
SMILESCn1cc(NC(=O)Nc2ccsc2)c(C2CCC2)n1
InChIInChI=1S/C13H16N4OS/c1-17-7-11(12(16-17)9-3-2-4-9)15-13(18)14-10-5-6-19-8-10/h5-9H,2-4H2,1H3,(H2,14,15,18)
InChIKeyHXMDDJAKWWSYGS-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea

1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea (PubChem CID 167849064) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea
PubChem CID167849064
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea
SMILESCn1cc(NC(=O)Nc2ccsc2)c(C2CCC2)n1
InChIInChI=1S/C13H16N4OS/c1-17-7-11(12(16-17)9-3-2-4-9)15-13(18)14-10-5-6-19-8-10/h5-9H,2-4H2,1H3,(H2,14,15,18)
InChIKeyHXMDDJAKWWSYGS-UHFFFAOYSA-N
XLogP3.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclobutyl-1-methylpyrazol-4-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-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea (CID 167849064) is 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea is Cn1cc(NC(=O)Nc2ccsc2)c(C2CCC2)n1.
What is the InChIKey of 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea?
The InChIKey is HXMDDJAKWWSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17-7-11(12(16-17)9-3-2-4-9)15-13(18)14-10-5-6-19-8-10/h5-9H,2-4H2,1H3,(H2,14,15,18).
What are the key properties of 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea?
1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea has a molecular weight of 276.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea is sourced from PubChem (CID 167849064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).