N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide

C18H16F3N3O3 — CID 39853954

IUPACN-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccco1
InChIInChI=1S/C18H16F3N3O3/c1-11-16(22-17(25)15-7-4-8-26-15)12(2)24(23-11)10-27-14-6-3-5-13(9-14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyBYLNJPBAMKKFMX-UHFFFAOYSA-N
MW379.34 g/mol
LogP4.40
Rot. Bonds5

About N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide

N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 39853954) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID39853954
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccco1
InChIInChI=1S/C18H16F3N3O3/c1-11-16(22-17(25)15-7-4-8-26-15)12(2)24(23-11)10-27-14-6-3-5-13(9-14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyBYLNJPBAMKKFMX-UHFFFAOYSA-N
XLogP4.40
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19494026
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19394132
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methoxybenzamide
CID 19394052
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514013
3-(3-bromophenyl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495768
2-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507208
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19394169
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19268820
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19335829
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475694
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19468102

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide (CID 39853954) is N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide is Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccco1.
What is the InChIKey of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is BYLNJPBAMKKFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-11-16(22-17(25)15-7-4-8-26-15)12(2)24(23-11)10-27-14-6-3-5-13(9-14)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,25).
What are the key properties of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide?
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 39853954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).