N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide

C14H17N3O2 — CID 112670100

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cn(C)nc2C)c(O)c1
InChIInChI=1S/C14H17N3O2/c1-9-4-5-12(13(18)6-9)14(19)15-7-11-8-17(3)16-10(11)2/h4-6,8,18H,7H2,1-3H3,(H,15,19)
InChIKeyUWNBOJVFLAYGJQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.67
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide (PubChem CID 112670100) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
PubChem CID112670100
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cn(C)nc2C)c(O)c1
InChIInChI=1S/C14H17N3O2/c1-9-4-5-12(13(18)6-9)14(19)15-7-11-8-17(3)16-10(11)2/h4-6,8,18H,7H2,1-3H3,(H,15,19)
InChIKeyUWNBOJVFLAYGJQ-UHFFFAOYSA-N
XLogP1.67
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112668155
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862534
2,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 104920731
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 112671971
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 115989525

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide (CID 112670100) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCc2cn(C)nc2C)c(O)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is UWNBOJVFLAYGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-5-12(13(18)6-9)14(19)15-7-11-8-17(3)16-10(11)2/h4-6,8,18H,7H2,1-3H3,(H,15,19).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 112670100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).