N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide

C24H35N3O — CID 6736213

IUPACN-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide
SMILESCC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C24H35N3O/c1-23(2,3)20-16-21(24(4,5)6)27(26-20)19-14-12-17(13-15-19)22(28)25-18-10-8-7-9-11-18/h12-16,18H,7-11H2,1-6H3,(H,25,28)
InChIKeyWKEISJQXROAAEL-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.53
Rot. Bonds3

About N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide

N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide (PubChem CID 6736213) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide
PubChem CID6736213
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC NameN-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide
SMILESCC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C24H35N3O/c1-23(2,3)20-16-21(24(4,5)6)27(26-20)19-14-12-17(13-15-19)22(28)25-18-10-8-7-9-11-18/h12-16,18H,7-11H2,1-6H3,(H,25,28)
InChIKeyWKEISJQXROAAEL-UHFFFAOYSA-N
XLogP5.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20709646
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CID 3995245
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CID 4862165
N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
CID 22583363
3,5-ditert-butyl-1-(4-methylphenyl)pyrazole
CID 23570444
N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
CID 46364382
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(methyl)amino]acetamide
CID 42734102
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclohexyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 793898
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide?
The IUPAC name of N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide (CID 6736213) is N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide is CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1.
What is the InChIKey of N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide?
The InChIKey is WKEISJQXROAAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-23(2,3)20-16-21(24(4,5)6)27(26-20)19-14-12-17(13-15-19)22(28)25-18-10-8-7-9-11-18/h12-16,18H,7-11H2,1-6H3,(H,25,28).
What are the key properties of N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide?
N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide has a molecular weight of 381.56 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide is sourced from PubChem (CID 6736213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).