N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide

C20H21N3O — CID 53197929

IUPACN-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
SMILESCc1ccc(-c2c(NC(=O)CCc3ccccc3)n[nH]c2C)cc1
InChIInChI=1S/C20H21N3O/c1-14-8-11-17(12-9-14)19-15(2)22-23-20(19)21-18(24)13-10-16-6-4-3-5-7-16/h3-9,11-12H,10,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyGQFDZTVALIZXNB-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.26
Rot. Bonds5

About N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide

N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 53197929) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
PubChem CID53197929
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
SMILESCc1ccc(-c2c(NC(=O)CCc3ccccc3)n[nH]c2C)cc1
InChIInChI=1S/C20H21N3O/c1-14-8-11-17(12-9-14)19-15(2)22-23-20(19)21-18(24)13-10-16-6-4-3-5-7-16/h3-9,11-12H,10,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyGQFDZTVALIZXNB-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide
CID 53197925
N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 53197836
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
CID 53198509
2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
CID 53198503
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 84565030
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
CID 154781594
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
N-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 117076402

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide (CID 53197929) is N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide is Cc1ccc(-c2c(NC(=O)CCc3ccccc3)n[nH]c2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is GQFDZTVALIZXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-8-11-17(12-9-14)19-15(2)22-23-20(19)21-18(24)13-10-16-6-4-3-5-7-16/h3-9,11-12H,10,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide?
N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 53197929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).