N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C19H20N4O — CID 58930508

IUPACN-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C19H20N4O/c1-13-11-14(2)23(22-13)12-15-7-9-16(10-8-15)19(24)21-18-6-4-3-5-17(18)20/h3-11H,12,20H2,1-2H3,(H,21,24)
InChIKeyVXYGTGPJJUONSZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.38
Rot. Bonds4

About N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 58930508) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID58930508
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C19H20N4O/c1-13-11-14(2)23(22-13)12-15-7-9-16(10-8-15)19(24)21-18-6-4-3-5-17(18)20/h3-11H,12,20H2,1-2H3,(H,21,24)
InChIKeyVXYGTGPJJUONSZ-UHFFFAOYSA-N
XLogP3.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]benzoate
CID 100584704
N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 100585086
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide
CID 59341329
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339970
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 58930508) is N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is VXYGTGPJJUONSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-11-14(2)23(22-13)12-15-7-9-16(10-8-15)19(24)21-18-6-4-3-5-17(18)20/h3-11H,12,20H2,1-2H3,(H,21,24).
What are the key properties of N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 320.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 58930508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).