N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide

C21H23N3O — CID 22138421

IUPACN-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cn(C(C)(C)C)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-15-10-12-17(13-11-15)20(25)22-18-14-24(21(2,3)4)23-19(18)16-8-6-5-7-9-16/h5-14H,1-4H3,(H,22,25)
InChIKeyIPOOXALHRYSZJA-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.87
Rot. Bonds3

About N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide

N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide (PubChem CID 22138421) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide
PubChem CID22138421
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cn(C(C)(C)C)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-15-10-12-17(13-11-15)20(25)22-18-14-24(21(2,3)4)23-19(18)16-8-6-5-7-9-16/h5-14H,1-4H3,(H,22,25)
InChIKeyIPOOXALHRYSZJA-UHFFFAOYSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-phenylpyrazole-4-carboxylic acid
CID 39095963
1-(1-tert-butyl-3-phenylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 10040200
2-(1-tert-butyl-3-phenylpyrazol-4-yl)acetic acid
CID 39096056
4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
CID 51699804
N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide
CID 22466067
2-[1-tert-butyl-3-(4-methylphenyl)pyrazol-4-yl]isoindole-1,3-dione
CID 145492915
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
4-methyl-N-[2-[[5-[(4-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 45155798
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 166383278
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide?
The IUPAC name of N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide (CID 22138421) is N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cn(C(C)(C)C)nc2-c2ccccc2)cc1.
What is the InChIKey of N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide?
The InChIKey is IPOOXALHRYSZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-10-12-17(13-11-15)20(25)22-18-14-24(21(2,3)4)23-19(18)16-8-6-5-7-9-16/h5-14H,1-4H3,(H,22,25).
What are the key properties of N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide?
N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide has a molecular weight of 333.44 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-3-phenylpyrazol-4-yl)-4-methylbenzamide is sourced from PubChem (CID 22138421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).