N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C21H23N3O4 — CID 55700607

IUPACN-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(-n3cccn3)c2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-26-18-12-15(13-19(27-2)21(18)28-3)8-9-20(25)23-16-6-4-7-17(14-16)24-11-5-10-22-24/h4-7,10-14H,8-9H2,1-3H3,(H,23,25)
InChIKeyKJZXYHWXAYWREC-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.47
Rot. Bonds8

About N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 55700607) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID55700607
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(-n3cccn3)c2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-26-18-12-15(13-19(27-2)21(18)28-3)8-9-20(25)23-16-6-4-7-17(14-16)24-11-5-10-22-24/h4-7,10-14H,8-9H2,1-3H3,(H,23,25)
InChIKeyKJZXYHWXAYWREC-UHFFFAOYSA-N
XLogP3.47
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746297
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 55963096
N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46786070
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 55700607) is N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cccc(-n3cccn3)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is KJZXYHWXAYWREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-18-12-15(13-19(27-2)21(18)28-3)8-9-20(25)23-16-6-4-7-17(14-16)24-11-5-10-22-24/h4-7,10-14H,8-9H2,1-3H3,(H,23,25).
What are the key properties of N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 381.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55700607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).