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

C20H20F4N6O2 — CID 177028415

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

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Related Compounds

5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 177028392
N-(1-cyclopropylpyrazol-4-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide
CID 177028427
4-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-N-(1-methylimidazol-4-yl)pyridazine-3-carboxamide
CID 177028327
4-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-N-(1-methylpyrazol-4-yl)-5-(oxetan-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 177028424
1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 167957425
N-(5-ethyl-3-pyridinyl)-3-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]pyrazine-2-carboxamide
CID 170248704
4-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide
CID 177028287
4-[[2-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one
CID 50917448
1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
CID 29097233
3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 170248716
3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 167512016
(2S,4S)-4-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 77083546

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).