N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide

C19H14F4N4O2 — CID 58810200

IUPACN-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C19H14F4N4O2/c20-12-6-7-14(19(21,22)23)13(8-12)17(28)25-16-9-15(26-27-16)18(29)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,24,29)(H2,25,26,27,28)
InChIKeyUCOLPRSPCAKGQB-UHFFFAOYSA-N
MW406.34 g/mol
LogP3.75
Rot. Bonds5

About N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide

N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 58810200) has the molecular formula C19H14F4N4O2 and a molecular weight of 406.34 g/mol. Its IUPAC name is N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
PubChem CID58810200
Molecular FormulaC19H14F4N4O2
Molecular Weight406.34 g/mol
Exact Mass406.11
IUPAC NameN-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C19H14F4N4O2/c20-12-6-7-14(19(21,22)23)13(8-12)17(28)25-16-9-15(26-27-16)18(29)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,24,29)(H2,25,26,27,28)
InChIKeyUCOLPRSPCAKGQB-UHFFFAOYSA-N
XLogP3.75
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide
CID 67153861
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31687955
N-[[3-(1-aminoethylideneamino)phenyl]methyl]-3-[(2-chloro-4,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 58810250
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
CID 87764208
CID 87764208
N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide
CID 145485958
N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 68824358
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide (CID 58810200) is N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide is O=C(NCc1ccccc1)c1cc(NC(=O)c2cc(F)ccc2C(F)(F)F)n[nH]1.
What is the InChIKey of N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is UCOLPRSPCAKGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2/c20-12-6-7-14(19(21,22)23)13(8-12)17(28)25-16-9-15(26-27-16)18(29)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,24,29)(H2,25,26,27,28).
What are the key properties of N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58810200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).