N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide

C20H17F4N3O2 — CID 55592880

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCc1c(C(C)NC(=O)c2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H17F4N3O2/c1-12(18-11-25-27(13(18)2)16-7-5-15(21)6-8-16)26-19(28)14-3-9-17(10-4-14)29-20(22,23)24/h3-12H,1-2H3,(H,26,28)
InChIKeyFJNKFGNOWMWBOC-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.71
Rot. Bonds5

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 55592880) has the molecular formula C20H17F4N3O2 and a molecular weight of 407.37 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID55592880
Molecular FormulaC20H17F4N3O2
Molecular Weight407.37 g/mol
Exact Mass407.13
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCc1c(C(C)NC(=O)c2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H17F4N3O2/c1-12(18-11-25-27(13(18)2)16-7-5-15(21)6-8-16)26-19(28)14-3-9-17(10-4-14)29-20(22,23)24/h3-12H,1-2H3,(H,26,28)
InChIKeyFJNKFGNOWMWBOC-UHFFFAOYSA-N
XLogP4.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938669
6-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 134034869
1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol
CID 66489417
2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
CID 55592587
4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
CID 55617179
3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938666
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55578525
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
ethyl 5-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55578666
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19467175
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide
CID 75430565

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide (CID 55592880) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide is Cc1c(C(C)NC(=O)c2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is FJNKFGNOWMWBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O2/c1-12(18-11-25-27(13(18)2)16-7-5-15(21)6-8-16)26-19(28)14-3-9-17(10-4-14)29-20(22,23)24/h3-12H,1-2H3,(H,26,28).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 407.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 55592880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).