N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide

C28H22N5O3- — CID 140627907

IUPACN-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide
SMILESO=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(N([O-])O)cc1
InChIInChI=1S/C28H22N5O3/c34-28(21-15-17-23(18-16-21)33(35)36)30-25-14-8-7-13-24(25)29-27-19-26(20-9-3-1-4-10-20)31-32(27)22-11-5-2-6-12-22/h1-19,29,35H,(H,30,34)/q-1
InChIKeyNIJVHMMKGPGXMF-UHFFFAOYSA-N
MW476.52 g/mol
LogP6.23
Rot. Bonds7

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide (PubChem CID 140627907) has the molecular formula C28H22N5O3- and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide
PubChem CID140627907
Molecular FormulaC28H22N5O3-
Molecular Weight476.52 g/mol
Exact Mass476.17
IUPAC NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide
SMILESO=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(N([O-])O)cc1
InChIInChI=1S/C28H22N5O3/c34-28(21-15-17-23(18-16-21)33(35)36)30-25-14-8-7-13-24(25)29-27-19-26(20-9-3-1-4-10-20)31-32(27)22-11-5-2-6-12-22/h1-19,29,35H,(H,30,34)/q-1
InChIKeyNIJVHMMKGPGXMF-UHFFFAOYSA-N
XLogP6.23
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.52
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-[2-[[3-(4-bromophenyl)-1-phenylpyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 4985286
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
2-(dimethylamino)-N-(1,3-diphenylpyrazol-5-yl)propanamide;hydron;chloride
CID 67108596
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11473880
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde
CID 145048661
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide (CID 140627907) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide is O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(N([O-])O)cc1.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide?
The InChIKey is NIJVHMMKGPGXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N5O3/c34-28(21-15-17-23(18-16-21)33(35)36)30-25-14-8-7-13-24(25)29-27-19-26(20-9-3-1-4-10-20)31-32(27)22-11-5-2-6-12-22/h1-19,29,35H,(H,30,34)/q-1.
What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide?
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide has a molecular weight of 476.52 g/mol, XLogP of 6.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]phenyl]-4-[hydroxy(oxido)amino]benzamide is sourced from PubChem (CID 140627907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).