N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide

C15H19N3O2 — CID 103899206

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
SMILESCCc1nn(C)cc1CNC(=O)c1ccc(O)cc1C
InChIInChI=1S/C15H19N3O2/c1-4-14-11(9-18(3)17-14)8-16-15(20)13-6-5-12(19)7-10(13)2/h5-7,9,19H,4,8H2,1-3H3,(H,16,20)
InChIKeyNIQGOXAFRDURAC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.93
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide (PubChem CID 103899206) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
PubChem CID103899206
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
SMILESCCc1nn(C)cc1CNC(=O)c1ccc(O)cc1C
InChIInChI=1S/C15H19N3O2/c1-4-14-11(9-18(3)17-14)8-16-15(20)13-6-5-12(19)7-10(13)2/h5-7,9,19H,4,8H2,1-3H3,(H,16,20)
InChIKeyNIQGOXAFRDURAC-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
CID 115988916
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 115888763
2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913
2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide (CID 103899206) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide is CCc1nn(C)cc1CNC(=O)c1ccc(O)cc1C.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide?
The InChIKey is NIQGOXAFRDURAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-14-11(9-18(3)17-14)8-16-15(20)13-6-5-12(19)7-10(13)2/h5-7,9,19H,4,8H2,1-3H3,(H,16,20).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103899206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).