N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide

C19H19N3O2 — CID 110698153

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-18-8-6-15(7-9-18)10-12-20-19(23)16-4-2-5-17(14-16)22-13-3-11-21-22/h2-9,11,13-14H,10,12H2,1H3,(H,20,23)
InChIKeyXOWOWWFTXUVODD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide

N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide (PubChem CID 110698153) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
PubChem CID110698153
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-18-8-6-15(7-9-18)10-12-20-19(23)16-4-2-5-17(14-16)22-13-3-11-21-22/h2-9,11,13-14H,10,12H2,1H3,(H,20,23)
InChIKeyXOWOWWFTXUVODD-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
4-methoxy-N-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111863419
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141473849
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141386769
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide (CID 110698153) is N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide is COc1ccc(CCNC(=O)c2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is XOWOWWFTXUVODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-18-8-6-15(7-9-18)10-12-20-19(23)16-4-2-5-17(14-16)22-13-3-11-21-22/h2-9,11,13-14H,10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide?
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 110698153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).