N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide

C21H21N3O2 — CID 88945714

IUPACN-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide
SMILESO=Cc1nn(CCc2ccccc2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-16-20-19(22-21(26)12-11-17-7-3-1-4-8-17)15-24(23-20)14-13-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,26)
InChIKeySUASVYJIEIMUAU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.51
Rot. Bonds8

About N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide

N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide (PubChem CID 88945714) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide
PubChem CID88945714
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide
SMILESO=Cc1nn(CCc2ccccc2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-16-20-19(22-21(26)12-11-17-7-3-1-4-8-17)15-24(23-20)14-13-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,26)
InChIKeySUASVYJIEIMUAU-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-bromo-N-[3-(methoxymethyl)-1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 67198226
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-1-(2-phenylethyl)pyrazole-3-carboxylic acid
CID 141201998
4-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1-(2-phenylethyl)pyrazole-3-carboxylic acid
CID 25009726
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
CID 19410607
benzene;formic acid;N-hydroxy-3-phenylpropanamide
CID 174900807

Frequently Asked Questions

What is the IUPAC name of N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide (CID 88945714) is N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide is O=Cc1nn(CCc2ccccc2)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide?
The InChIKey is SUASVYJIEIMUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-16-20-19(22-21(26)12-11-17-7-3-1-4-8-17)15-24(23-20)14-13-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,22,26).
What are the key properties of N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide?
N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-formyl-1-(2-phenylethyl)pyrazol-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 88945714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).