N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide

C25H25N5O — CID 44591258

IUPACN-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
SMILESCc1c(CNc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cnn1C
InChIInChI=1S/C25H25N5O/c1-17-21(16-28-30(17)2)15-27-22-11-8-19(9-12-22)25(31)29-24-14-20(10-13-23(24)26)18-6-4-3-5-7-18/h3-14,16,27H,15,26H2,1-2H3,(H,29,31)
InChIKeyXIFCOCFVEFTGAZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.84
Rot. Bonds6

About N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide

N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide (PubChem CID 44591258) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
PubChem CID44591258
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
SMILESCc1c(CNc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cnn1C
InChIInChI=1S/C25H25N5O/c1-17-21(16-28-30(17)2)15-27-22-11-8-19(9-12-22)25(31)29-24-14-20(10-13-23(24)26)18-6-4-3-5-7-18/h3-14,16,27H,15,26H2,1-2H3,(H,29,31)
InChIKeyXIFCOCFVEFTGAZ-UHFFFAOYSA-N
XLogP4.84
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
methyl 2-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate
CID 106039348
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide (CID 44591258) is N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide is Cc1c(CNc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cnn1C.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is XIFCOCFVEFTGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-17-21(16-28-30(17)2)15-27-22-11-8-19(9-12-22)25(31)29-24-14-20(10-13-23(24)26)18-6-4-3-5-7-18/h3-14,16,27H,15,26H2,1-2H3,(H,29,31).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 411.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 44591258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).