N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

C25H23N3O — CID 26466177

IUPACN-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C25H23N3O/c29-25(16-15-21-18-26-28(19-21)23-12-5-2-6-13-23)27-24-14-8-7-11-22(24)17-20-9-3-1-4-10-20/h1-14,18-19H,15-17H2,(H,27,29)
InChIKeyWAYBUFXAJVCCIG-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.03
Rot. Bonds7

About N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 26466177) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID26466177
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C25H23N3O/c29-25(16-15-21-18-26-28(19-21)23-12-5-2-6-13-23)27-24-14-8-7-11-22(24)17-20-9-3-1-4-10-20/h1-14,18-19H,15-17H2,(H,27,29)
InChIKeyWAYBUFXAJVCCIG-UHFFFAOYSA-N
XLogP5.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 35359122
N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
CID 34733192
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26955403
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 134030127
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55610031
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466691
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (CID 26466177) is N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is WAYBUFXAJVCCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(16-15-21-18-26-28(19-21)23-12-5-2-6-13-23)27-24-14-8-7-11-22(24)17-20-9-3-1-4-10-20/h1-14,18-19H,15-17H2,(H,27,29).
What are the key properties of N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 26466177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).