2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide

C22H25N3O — CID 59420626

IUPAC2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-16(2)15-18-9-11-19(12-10-18)17(3)22(26)24-21-13-14-23-25(21)20-7-5-4-6-8-20/h4-14,16-17H,15H2,1-3H3,(H,24,26)
InChIKeyZQVSVRWDQBGMKD-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.81
Rot. Bonds6

About 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide

2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide (PubChem CID 59420626) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide
PubChem CID59420626
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-16(2)15-18-9-11-19(12-10-18)17(3)22(26)24-21-13-14-23-25(21)20-7-5-4-6-8-20/h4-14,16-17H,15H2,1-3H3,(H,24,26)
InChIKeyZQVSVRWDQBGMKD-UHFFFAOYSA-N
XLogP4.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 52915206
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 16764985
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide
CID 3627237
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide (CID 59420626) is 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide is CC(C)Cc1ccc(C(C)C(=O)Nc2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide?
The InChIKey is ZQVSVRWDQBGMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16(2)15-18-9-11-19(12-10-18)17(3)22(26)24-21-13-14-23-25(21)20-7-5-4-6-8-20/h4-14,16-17H,15H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide?
2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-(2-phenylpyrazol-3-yl)propanamide is sourced from PubChem (CID 59420626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).