N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide

C31H28N4O3 — CID 91205469

IUPACN-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3nc(-c4ccccc4)cc3C)c(NC(O)c3ccccc3)c2)cc1
InChIInChI=1S/C31H28N4O3/c1-21-19-27(22-9-5-3-6-10-22)34-35(21)29-18-15-25(32-30(36)24-13-16-26(38-2)17-14-24)20-28(29)33-31(37)23-11-7-4-8-12-23/h3-20,31,33,37H,1-2H3,(H,32,36)
InChIKeyXJGDPOGGWCIZHY-UHFFFAOYSA-N
MW504.59 g/mol
LogP6.21
Rot. Bonds8

About N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide

N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide (PubChem CID 91205469) has the molecular formula C31H28N4O3 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide
PubChem CID91205469
Molecular FormulaC31H28N4O3
Molecular Weight504.59 g/mol
Exact Mass504.22
IUPAC NameN-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3nc(-c4ccccc4)cc3C)c(NC(O)c3ccccc3)c2)cc1
InChIInChI=1S/C31H28N4O3/c1-21-19-27(22-9-5-3-6-10-22)34-35(21)29-18-15-25(32-30(36)24-13-16-26(38-2)17-14-24)20-28(29)33-31(37)23-11-7-4-8-12-23/h3-20,31,33,37H,1-2H3,(H,32,36)
InChIKeyXJGDPOGGWCIZHY-UHFFFAOYSA-N
XLogP6.21
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
CID 12018678
5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302536
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
CID 162664109
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110

Frequently Asked Questions

What is the IUPAC name of N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide (CID 91205469) is N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(-n3nc(-c4ccccc4)cc3C)c(NC(O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide?
The InChIKey is XJGDPOGGWCIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O3/c1-21-19-27(22-9-5-3-6-10-22)34-35(21)29-18-15-25(32-30(36)24-13-16-26(38-2)17-14-24)20-28(29)33-31(37)23-11-7-4-8-12-23/h3-20,31,33,37H,1-2H3,(H,32,36).
What are the key properties of N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide?
N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide has a molecular weight of 504.59 g/mol, XLogP of 6.21, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[hydroxy(phenyl)methyl]amino]-4-(5-methyl-3-phenylpyrazol-1-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 91205469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).