1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea

C16H16N4OS — CID 2813500

IUPAC1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
SMILESCn1nc(C2CC2)cc1NC(=O)Nc1csc2ccccc12
InChIInChI=1S/C16H16N4OS/c1-20-15(8-12(19-20)10-6-7-10)18-16(21)17-13-9-22-14-5-3-2-4-11(13)14/h2-5,8-10H,6-7H2,1H3,(H2,17,18,21)
InChIKeyIYLAYFSWQOFNKA-UHFFFAOYSA-N
MW312.40 g/mol
LogP4.16
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea

1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea (PubChem CID 2813500) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
PubChem CID2813500
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
SMILESCn1nc(C2CC2)cc1NC(=O)Nc1csc2ccccc12
InChIInChI=1S/C16H16N4OS/c1-20-15(8-12(19-20)10-6-7-10)18-16(21)17-13-9-22-14-5-3-2-4-11(13)14/h2-5,8-10H,6-7H2,1H3,(H2,17,18,21)
InChIKeyIYLAYFSWQOFNKA-UHFFFAOYSA-N
XLogP4.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea 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-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea (CID 2813500) is 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea is Cn1nc(C2CC2)cc1NC(=O)Nc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The InChIKey is IYLAYFSWQOFNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20-15(8-12(19-20)10-6-7-10)18-16(21)17-13-9-22-14-5-3-2-4-11(13)14/h2-5,8-10H,6-7H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea has a molecular weight of 312.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea is sourced from PubChem (CID 2813500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).