Skip to content

N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide

C20H20F4N6O2 — CID 177028415

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1cn(C)nc1NC(=O)c1cnn(C)c1N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H20F4N6O2/c1-11-8-28(2)27-17(11)26-18(31)16-7-25-29(3)19(16)30-9-15(10-30)32-14-5-12(20(22,23)24)4-13(21)6-14/h4-8,15H,9-10H2,1-3H3,(H,26,27,31)
InChIKeyJJPLMWSDDJLHRX-UHFFFAOYSA-N
MW452.41 g/mol
LogP3.14
Rot. Bonds5

About N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide

N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 177028415) has the molecular formula C20H20F4N6O2 and a molecular weight of 452.41 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide
PubChem CID177028415
Molecular FormulaC20H20F4N6O2
Molecular Weight452.41 g/mol
Exact Mass452.16
IUPAC NameN-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1cn(C)nc1NC(=O)c1cnn(C)c1N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H20F4N6O2/c1-11-8-28(2)27-17(11)26-18(31)16-7-25-29(3)19(16)30-9-15(10-30)32-14-5-12(20(22,23)24)4-13(21)6-14/h4-8,15H,9-10H2,1-3H3,(H,26,27,31)
InChIKeyJJPLMWSDDJLHRX-UHFFFAOYSA-N
XLogP3.14
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide 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 N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide (CID 177028415) is N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide is Cc1cn(C)nc1NC(=O)c1cnn(C)c1N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is JJPLMWSDDJLHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N6O2/c1-11-8-28(2)27-17(11)26-18(31)16-7-25-29(3)19(16)30-9-15(10-30)32-14-5-12(20(22,23)24)4-13(21)6-14/h4-8,15H,9-10H2,1-3H3,(H,26,27,31).
What are the key properties of N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide?
N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 452.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 177028415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.