1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea

C14H13F3N4O2S — CID 125433016

IUPAC1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCn1nc2c(c1NC(=O)Nc1ccccc1OC(F)(F)F)CSC2
InChIInChI=1S/C14H13F3N4O2S/c1-21-12(8-6-24-7-10(8)20-21)19-13(22)18-9-4-2-3-5-11(9)23-14(15,16)17/h2-5H,6-7H2,1H3,(H2,18,19,22)
InChIKeyGXLIRGMUSSRXSS-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.71
Rot. Bonds3

About 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea

1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 125433016) has the molecular formula C14H13F3N4O2S and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID125433016
Molecular FormulaC14H13F3N4O2S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC Name1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCn1nc2c(c1NC(=O)Nc1ccccc1OC(F)(F)F)CSC2
InChIInChI=1S/C14H13F3N4O2S/c1-21-12(8-6-24-7-10(8)20-21)19-13(22)18-9-4-2-3-5-11(9)23-14(15,16)17/h2-5H,6-7H2,1H3,(H2,18,19,22)
InChIKeyGXLIRGMUSSRXSS-UHFFFAOYSA-N
XLogP3.71
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]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-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea (CID 125433016) is 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea is Cn1nc2c(c1NC(=O)Nc1ccccc1OC(F)(F)F)CSC2.
What is the InChIKey of 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is GXLIRGMUSSRXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S/c1-21-12(8-6-24-7-10(8)20-21)19-13(22)18-9-4-2-3-5-11(9)23-14(15,16)17/h2-5H,6-7H2,1H3,(H2,18,19,22).
What are the key properties of 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea?
1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 358.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 125433016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).