2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide

C13H15N3O2 — CID 178150209

IUPAC2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide
SMILESCNC(=O)c1cc(-c2ccn[nH]2)c(C)cc1OC
InChIInChI=1S/C13H15N3O2/c1-8-6-12(18-3)10(13(17)14-2)7-9(8)11-4-5-15-16-11/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeyOZWHXFHZVLXBME-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.75
Rot. Bonds3

About 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide

2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide (PubChem CID 178150209) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide
PubChem CID178150209
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide
SMILESCNC(=O)c1cc(-c2ccn[nH]2)c(C)cc1OC
InChIInChI=1S/C13H15N3O2/c1-8-6-12(18-3)10(13(17)14-2)7-9(8)11-4-5-15-16-11/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeyOZWHXFHZVLXBME-UHFFFAOYSA-N
XLogP1.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027
2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 39818032
N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 167908208
5-(5-fluoro-2-methoxyanilino)-N-methyl-1H-pyrazole-4-carboxamide
CID 170509919
5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61394014
2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393926
2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 110763310
2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid
CID 159071546
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118762325

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide (CID 178150209) is 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide is CNC(=O)c1cc(-c2ccn[nH]2)c(C)cc1OC.
What is the InChIKey of 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide?
The InChIKey is OZWHXFHZVLXBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-12(18-3)10(13(17)14-2)7-9(8)11-4-5-15-16-11/h4-7H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide?
2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 178150209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).