5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide

C19H18F4N6O2 — CID 177028392

IUPAC5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide
SMILESCn1nccc1NC(=O)c1cnn(C)c1N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H18F4N6O2/c1-27-16(3-4-24-27)26-17(30)15-8-25-28(2)18(15)29-9-14(10-29)31-13-6-11(19(21,22)23)5-12(20)7-13/h3-8,14H,9-10H2,1-2H3,(H,26,30)
InChIKeyUBOOOOYTSSKVRM-UHFFFAOYSA-N
MW438.39 g/mol
LogP2.83
Rot. Bonds5

About 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide

5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide (PubChem CID 177028392) has the molecular formula C19H18F4N6O2 and a molecular weight of 438.39 g/mol. Its IUPAC name is 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide
PubChem CID177028392
Molecular FormulaC19H18F4N6O2
Molecular Weight438.39 g/mol
Exact Mass438.14
IUPAC Name5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide
SMILESCn1nccc1NC(=O)c1cnn(C)c1N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H18F4N6O2/c1-27-16(3-4-24-27)26-17(30)15-8-25-28(2)18(15)29-9-14(10-29)31-13-6-11(19(21,22)23)5-12(20)7-13/h3-8,14H,9-10H2,1-2H3,(H,26,30)
InChIKeyUBOOOOYTSSKVRM-UHFFFAOYSA-N
XLogP2.83
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide
CID 177028415
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-[[2-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one
CID 50917448
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]azetidin-1-yl]-N-(1-methylpyrazol-4-yl)-5-(oxetan-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 177028424
4-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide
CID 177028287
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415447
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
3-hydroxy-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 81443340
2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 113305163
4-chloro-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81226455

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide (CID 177028392) is 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide is Cn1nccc1NC(=O)c1cnn(C)c1N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is UBOOOOYTSSKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N6O2/c1-27-16(3-4-24-27)26-17(30)15-8-25-28(2)18(15)29-9-14(10-29)31-13-6-11(19(21,22)23)5-12(20)7-13/h3-8,14H,9-10H2,1-2H3,(H,26,30).
What are the key properties of 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide?
5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 438.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 177028392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).