N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide

C30H23F3N4O3 — CID 1060753

IUPACN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(CN(Cc1ccco1)C(=O)c1cccc(C(F)(F)F)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C30H23F3N4O3/c31-30(32,33)23-12-7-11-22(17-23)29(39)36(19-25-15-8-16-40-25)20-28(38)34-27-18-26(21-9-3-1-4-10-21)35-37(27)24-13-5-2-6-14-24/h1-18H,19-20H2,(H,34,38)
InChIKeyGITNEJDLRBGKMB-UHFFFAOYSA-N
MW544.53 g/mol
LogP6.43
Rot. Bonds8

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 1060753) has the molecular formula C30H23F3N4O3 and a molecular weight of 544.53 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID1060753
Molecular FormulaC30H23F3N4O3
Molecular Weight544.53 g/mol
Exact Mass544.17
IUPAC NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(CN(Cc1ccco1)C(=O)c1cccc(C(F)(F)F)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C30H23F3N4O3/c31-30(32,33)23-12-7-11-22(17-23)29(39)36(19-25-15-8-16-40-25)20-28(38)34-27-18-26(21-9-3-1-4-10-21)35-37(27)24-13-5-2-6-14-24/h1-18H,19-20H2,(H,34,38)
InChIKeyGITNEJDLRBGKMB-UHFFFAOYSA-N
XLogP6.43
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.53
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 44454568
N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
N-{1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-2-furamide
CID 2809606
N-(3-(3-(5-(pyrrolidin-1-ylmethyl)furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880228
N-(3-(3-(5-((4-ethylpiperazin-1-yl)methyl)furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880229
1-(furan-2-ylmethyl)-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066487
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CID 646968
5-p-Tolyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 649030
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl-phenyl-amide
CID 654439
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CID 3244839
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398
US9687479, 74 3-(5-[(4-fluorophenyl)methyl]amino-1-[(furan-2-yl)carbonyl]-1H-pyrazol-3-yl)-1-(pyridin-2-ylmethyl)-1,2-dihydropyridin-2-one
CID 133081161

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide (CID 1060753) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide is O=C(CN(Cc1ccco1)C(=O)c1cccc(C(F)(F)F)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is GITNEJDLRBGKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O3/c31-30(32,33)23-12-7-11-22(17-23)29(39)36(19-25-15-8-16-40-25)20-28(38)34-27-18-26(21-9-3-1-4-10-21)35-37(27)24-13-5-2-6-14-24/h1-18H,19-20H2,(H,34,38).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 544.53 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 1060753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).