4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide

C21H24N4O2 — CID 122564550

IUPAC4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCOCc1n[nH]c(C)c1-c1ccc(C(=O)NC(C)c2ccc(C)nc2)cc1
InChIInChI=1S/C21H24N4O2/c1-13-5-6-18(11-22-13)14(2)23-21(26)17-9-7-16(8-10-17)20-15(3)24-25-19(20)12-27-4/h5-11,14H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyHYRIZLJLISZXTE-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.73
Rot. Bonds6

About 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide

4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide (PubChem CID 122564550) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
PubChem CID122564550
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCOCc1n[nH]c(C)c1-c1ccc(C(=O)NC(C)c2ccc(C)nc2)cc1
InChIInChI=1S/C21H24N4O2/c1-13-5-6-18(11-22-13)14(2)23-21(26)17-9-7-16(8-10-17)20-15(3)24-25-19(20)12-27-4/h5-11,14H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyHYRIZLJLISZXTE-UHFFFAOYSA-N
XLogP3.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 135120365
3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 126452473
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)benzamide
CID 122556842
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide
CID 74251520
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide (CID 122564550) is 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide is COCc1n[nH]c(C)c1-c1ccc(C(=O)NC(C)c2ccc(C)nc2)cc1.
What is the InChIKey of 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The InChIKey is HYRIZLJLISZXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-5-6-18(11-22-13)14(2)23-21(26)17-9-7-16(8-10-17)20-15(3)24-25-19(20)12-27-4/h5-11,14H,12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 122564550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).