N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide

C14H17N3O2 — CID 47423292

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
SMILESCCc1cc(NC(=O)c2ccc(COC)cc2)n[nH]1
InChIInChI=1S/C14H17N3O2/c1-3-12-8-13(17-16-12)15-14(18)11-6-4-10(5-7-11)9-19-2/h4-8H,3,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyJHLJPQLFAKYOEO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.37
Rot. Bonds5

About N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide

N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide (PubChem CID 47423292) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
PubChem CID47423292
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
SMILESCCc1cc(NC(=O)c2ccc(COC)cc2)n[nH]1
InChIInChI=1S/C14H17N3O2/c1-3-12-8-13(17-16-12)15-14(18)11-6-4-10(5-7-11)9-19-2/h4-8H,3,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyJHLJPQLFAKYOEO-UHFFFAOYSA-N
XLogP2.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
N-(5-ethyl-1H-pyrazol-3-yl)quinoxaline-6-carboxamide
CID 115884080
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 86875491
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
CID 47423222
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433320

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide (CID 47423292) is N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide is CCc1cc(NC(=O)c2ccc(COC)cc2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide?
The InChIKey is JHLJPQLFAKYOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-12-8-13(17-16-12)15-14(18)11-6-4-10(5-7-11)9-19-2/h4-8H,3,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide?
N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 47423292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).