5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide

C18H16F3N3O2 — CID 59855360

IUPAC5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC(C(F)(F)F)=NN1
InChIInChI=1S/C18H16F3N3O2/c1-17(11-15(23-24-17)18(19,20)21)16(25)22-12-7-9-14(10-8-12)26-13-5-3-2-4-6-13/h2-10,24H,11H2,1H3,(H,22,25)
InChIKeyOPXAEHZWBXCJFU-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.09
Rot. Bonds4

About 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide

5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide (PubChem CID 59855360) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
PubChem CID59855360
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC(C(F)(F)F)=NN1
InChIInChI=1S/C18H16F3N3O2/c1-17(11-15(23-24-17)18(19,20)21)16(25)22-12-7-9-14(10-8-12)26-13-5-3-2-4-6-13/h2-10,24H,11H2,1H3,(H,22,25)
InChIKeyOPXAEHZWBXCJFU-UHFFFAOYSA-N
XLogP4.09
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)-5-methyl-1,4-dihydropyrazole-5-carboxamide
CID 71045740
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
S-methyl N-[4-(4-phenylphenoxy)phenyl]carbamothioate
CID 71413210
N-(4-phenoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2505978
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586
1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970349
2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide
CID 4117087
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide (CID 59855360) is 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide is CC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC(C(F)(F)F)=NN1.
What is the InChIKey of 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
The InChIKey is OPXAEHZWBXCJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-17(11-15(23-24-17)18(19,20)21)16(25)22-12-7-9-14(10-8-12)26-13-5-3-2-4-6-13/h2-10,24H,11H2,1H3,(H,22,25).
What are the key properties of 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide?
5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-phenoxyphenyl)-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 59855360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).