N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide

C18H18N4O2 — CID 3590372

IUPACN-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
SMILESCOCCNC(=O)c1ccc(-n2cc(-c3ccncc3)cn2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-11-10-20-18(23)15-2-4-17(5-3-15)22-13-16(12-21-22)14-6-8-19-9-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,23)
InChIKeyXKXBMEKSDWFCHF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.31
Rot. Bonds6

About N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide

N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide (PubChem CID 3590372) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
PubChem CID3590372
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide
SMILESCOCCNC(=O)c1ccc(-n2cc(-c3ccncc3)cn2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-11-10-20-18(23)15-2-4-17(5-3-15)22-13-16(12-21-22)14-6-8-19-9-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,23)
InChIKeyXKXBMEKSDWFCHF-UHFFFAOYSA-N
XLogP2.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 126852886
6-[1-(4-cyanophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4268648
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 3610947
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-[(4-methylsulfonylphenyl)methyl]-4-(4-pyrimidin-4-ylpyrazol-1-yl)benzamide
CID 4085181
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4658115
6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4116151
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-(4H-indeno[2,1-d]pyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 91113005

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide (CID 3590372) is N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide is COCCNC(=O)c1ccc(-n2cc(-c3ccncc3)cn2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide?
The InChIKey is XKXBMEKSDWFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-11-10-20-18(23)15-2-4-17(5-3-15)22-13-16(12-21-22)14-6-8-19-9-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide?
N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide is sourced from PubChem (CID 3590372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).