N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide

C19H19N3O2 — CID 86991697

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c(O)c1
InChIInChI=1S/C19H19N3O2/c1-14-7-8-17(18(23)9-14)19(24)20-10-16-11-21-22(13-16)12-15-5-3-2-4-6-15/h2-9,11,13,23H,10,12H2,1H3,(H,20,24)
InChIKeyIDSYPBIZCDQCCE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.88
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide (PubChem CID 86991697) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
PubChem CID86991697
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c(O)c1
InChIInChI=1S/C19H19N3O2/c1-14-7-8-17(18(23)9-14)19(24)20-10-16-11-21-22(13-16)12-15-5-3-2-4-6-15/h2-9,11,13,23H,10,12H2,1H3,(H,20,24)
InChIKeyIDSYPBIZCDQCCE-UHFFFAOYSA-N
XLogP2.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 86861715
N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86990835
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354
N-[(1-benzylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 51115685
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900371
N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
CID 43589395
N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 86991680
N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 97069938
ethyl 2-[(1-benzylpyrazol-4-yl)methylamino]propanoate
CID 61498436

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide (CID 86991697) is N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c(O)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is IDSYPBIZCDQCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-7-8-17(18(23)9-14)19(24)20-10-16-11-21-22(13-16)12-15-5-3-2-4-6-15/h2-9,11,13,23H,10,12H2,1H3,(H,20,24).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 86991697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).