3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide

C21H20F3N3O2 — CID 15008422

IUPAC3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n(C)n1
InChIInChI=1S/C21H20F3N3O2/c1-3-16-12-19(27(2)26-16)20(28)25-13-14-4-8-17(9-5-14)29-18-10-6-15(7-11-18)21(22,23)24/h4-12H,3,13H2,1-2H3,(H,25,28)
InChIKeyXFHPXNDSRQIEQO-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.72
Rot. Bonds6

About 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide

3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 15008422) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
PubChem CID15008422
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n(C)n1
InChIInChI=1S/C21H20F3N3O2/c1-3-16-12-19(27(2)26-16)20(28)25-13-14-4-8-17(9-5-14)29-18-10-6-15(7-11-18)21(22,23)24/h4-12H,3,13H2,1-2H3,(H,25,28)
InChIKeyXFHPXNDSRQIEQO-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008416
4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
CID 66121497
1-methyl-3-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 70742885
N-[(4-carbamothioylphenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121907
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264342
3-tert-butyl-1-methyl-N-[[4-(4-methylsulfinylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 139656053
N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120501
4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 19996056
N-[(3-aminophenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121298
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 69084483
5-chloro-1-methyl-3-(trifluoromethyl)-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]pyrazole-4-carboxamide
CID 123729320

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide (CID 15008422) is 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide is CCc1cc(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is XFHPXNDSRQIEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-3-16-12-19(27(2)26-16)20(28)25-13-14-4-8-17(9-5-14)29-18-10-6-15(7-11-18)21(22,23)24/h4-12H,3,13H2,1-2H3,(H,25,28).
What are the key properties of 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide?
3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 15008422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).