3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid

C12H15F3N4O3 — CID 154781408

IUPAC3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCCn1ncc(NC(=O)NC2CC(C(=O)O)C2)c1C(F)(F)F
InChIInChI=1S/C12H15F3N4O3/c1-2-19-9(12(13,14)15)8(5-16-19)18-11(22)17-7-3-6(4-7)10(20)21/h5-7H,2-4H2,1H3,(H,20,21)(H2,17,18,22)
InChIKeyDVMFDVAYYSUCRW-UHFFFAOYSA-N
MW320.27 g/mol
LogP1.91
Rot. Bonds4

About 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid

3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 154781408) has the molecular formula C12H15F3N4O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID154781408
Molecular FormulaC12H15F3N4O3
Molecular Weight320.27 g/mol
Exact Mass320.11
IUPAC Name3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCCn1ncc(NC(=O)NC2CC(C(=O)O)C2)c1C(F)(F)F
InChIInChI=1S/C12H15F3N4O3/c1-2-19-9(12(13,14)15)8(5-16-19)18-11(22)17-7-3-6(4-7)10(20)21/h5-7H,2-4H2,1H3,(H,20,21)(H2,17,18,22)
InChIKeyDVMFDVAYYSUCRW-UHFFFAOYSA-N
XLogP1.91
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid 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 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid (CID 154781408) is 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid is CCn1ncc(NC(=O)NC2CC(C(=O)O)C2)c1C(F)(F)F.
What is the InChIKey of 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is DVMFDVAYYSUCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O3/c1-2-19-9(12(13,14)15)8(5-16-19)18-11(22)17-7-3-6(4-7)10(20)21/h5-7H,2-4H2,1H3,(H,20,21)(H2,17,18,22).
What are the key properties of 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid?
3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 320.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 154781408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).