11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione

C18H19F3N4O3 — CID 167768682

IUPAC11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione
SMILESO=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC23CCCCC2(C1)C(=O)NC3=O
InChIInChI=1S/C18H19F3N4O3/c19-18(20,21)12-7-11(25(23-12)10-3-4-10)13(26)24-8-16-5-1-2-6-17(16,9-24)15(28)22-14(16)27/h7,10H,1-6,8-9H2,(H,22,27,28)
InChIKeyIEGMJZDRLSDOAH-UHFFFAOYSA-N
MW396.37 g/mol
LogP1.90
Rot. Bonds2

About 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione

11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione (PubChem CID 167768682) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione.

Molecular Properties

Compound Name11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione
PubChem CID167768682
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione
SMILESO=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC23CCCCC2(C1)C(=O)NC3=O
InChIInChI=1S/C18H19F3N4O3/c19-18(20,21)12-7-11(25(23-12)10-3-4-10)13(26)24-8-16-5-1-2-6-17(16,9-24)15(28)22-14(16)27/h7,10H,1-6,8-9H2,(H,22,27,28)
InChIKeyIEGMJZDRLSDOAH-UHFFFAOYSA-N
XLogP1.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione 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 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione?
The IUPAC name of 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione (CID 167768682) is 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione.
What is the SMILES notation for 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione?
The canonical SMILES for 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione is O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC23CCCCC2(C1)C(=O)NC3=O.
What is the InChIKey of 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione?
The InChIKey is IEGMJZDRLSDOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c19-18(20,21)12-7-11(25(23-12)10-3-4-10)13(26)24-8-16-5-1-2-6-17(16,9-24)15(28)22-14(16)27/h7,10H,1-6,8-9H2,(H,22,27,28).
What are the key properties of 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione?
11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione has a molecular weight of 396.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione is sourced from PubChem (CID 167768682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).