N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

C20H21N3O3 — CID 26465987

IUPACN-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCOc1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc(OC)c1
InChIInChI=1S/C20H21N3O3/c1-25-18-10-16(11-19(12-18)26-2)22-20(24)9-8-15-13-21-23(14-15)17-6-4-3-5-7-17/h3-7,10-14H,8-9H2,1-2H3,(H,22,24)
InChIKeyFCUMRYONQZJJBH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.46
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 26465987) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID26465987
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCOc1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc(OC)c1
InChIInChI=1S/C20H21N3O3/c1-25-18-10-16(11-19(12-18)26-2)22-20(24)9-8-15-13-21-23(14-15)17-6-4-3-5-7-17/h3-7,10-14H,8-9H2,1-2H3,(H,22,24)
InChIKeyFCUMRYONQZJJBH-UHFFFAOYSA-N
XLogP3.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 27793538
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55471999
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 42920757
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24646854

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (CID 26465987) is N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is COc1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is FCUMRYONQZJJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-18-10-16(11-19(12-18)26-2)22-20(24)9-8-15-13-21-23(14-15)17-6-4-3-5-7-17/h3-7,10-14H,8-9H2,1-2H3,(H,22,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 26465987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).