N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide

C20H16F4N4O2 — CID 66644354

IUPACN-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)C(Cc1cc(C(F)(F)F)nn1NC(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H16F4N4O2/c21-14-8-4-7-13(9-14)16(18(25)29)10-15-11-17(20(22,23)24)26-28(15)27-19(30)12-5-2-1-3-6-12/h1-9,11,16H,10H2,(H2,25,29)(H,27,30)
InChIKeyVLIWOXQAUDXRGS-UHFFFAOYSA-N
MW420.37 g/mol
LogP3.24
Rot. Bonds6

About N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 66644354) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID66644354
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC NameN-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)C(Cc1cc(C(F)(F)F)nn1NC(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C20H16F4N4O2/c21-14-8-4-7-13(9-14)16(18(25)29)10-15-11-17(20(22,23)24)26-28(15)27-19(30)12-5-2-1-3-6-12/h1-9,11,16H,10H2,(H2,25,29)(H,27,30)
InChIKeyVLIWOXQAUDXRGS-UHFFFAOYSA-N
XLogP3.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
5-Methyl-2H-pyrazole-3-carboxylic acid (1-biphenyl-4-yl-ethylidene)-hydrazide
CID 9592732
3-tert-butyl-N'-(1-methyl-2-phenylethylidene)-1H-pyrazole-5-carbohydrazide
CID 5409281
3-phenyl-N'-[(E)-phenylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6867023
5-Phenyl-2H-pyrazole-3-carboxylic acid cyclohexylidene-hydrazide
CID 820056
N'-cyclopentylidene-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 820058
N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 3636327
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 71455283
3-(2,4,5-trifluorophenyl)-1H-pyrazole-5-carbohydrazide
CID 24178171
3-(2,4-difluorophenyl)-1H-pyrazole-5-carbohydrazide
CID 24178172
3-cyclopropyl-N'-[(E)-1-(4-methylphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 5342919

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 66644354) is N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide is NC(=O)C(Cc1cc(C(F)(F)F)nn1NC(=O)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is VLIWOXQAUDXRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c21-14-8-4-7-13(9-14)16(18(25)29)10-15-11-17(20(22,23)24)26-28(15)27-19(30)12-5-2-1-3-6-12/h1-9,11,16H,10H2,(H2,25,29)(H,27,30).
What are the key properties of N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 420.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 66644354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).