N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide

C24H29N3O — CID 165142734

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1C
InChIInChI=1S/C24H29N3O/c1-6-10-18-13-14-19(15-17(18)2)23(28)25-22-16-21(24(3,4)5)26-27(22)20-11-8-7-9-12-20/h7-9,11-16H,6,10H2,1-5H3,(H,25,28)
InChIKeyGWYSHDDWGFUVSC-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.68
Rot. Bonds5

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide (PubChem CID 165142734) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide
PubChem CID165142734
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1C
InChIInChI=1S/C24H29N3O/c1-6-10-18-13-14-19(15-17(18)2)23(28)25-22-16-21(24(3,4)5)26-27(22)20-11-8-7-9-12-20/h7-9,11-16H,6,10H2,1-5H3,(H,25,28)
InChIKeyGWYSHDDWGFUVSC-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-methylbenzamide
CID 11750662
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616
4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide
CID 42730573
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-hexylbenzamide
CID 42732625
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-methyl-3-methylsulfonylbenzamide
CID 47047157
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
2-[butyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3401511
ethyl 4-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 27994543

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide (CID 165142734) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide is CCCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1C.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide?
The InChIKey is GWYSHDDWGFUVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-6-10-18-13-14-19(15-17(18)2)23(28)25-22-16-21(24(3,4)5)26-27(22)20-11-8-7-9-12-20/h7-9,11-16H,6,10H2,1-5H3,(H,25,28).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide has a molecular weight of 375.52 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methyl-4-propylbenzamide is sourced from PubChem (CID 165142734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).