tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate

C24H28N4O3 — CID 71910266

IUPACtert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)cc2)n1
InChIInChI=1S/C24H28N4O3/c1-15-7-10-19(25-23(30)31-24(4,5)6)14-21(15)26-22(29)18-8-11-20(12-9-18)28-17(3)13-16(2)27-28/h7-14H,1-6H3,(H,25,30)(H,26,29)
InChIKeyCYAGOFBFZJJUKF-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.40
Rot. Bonds4

About tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate

tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate (PubChem CID 71910266) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate
PubChem CID71910266
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Nametert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)cc2)n1
InChIInChI=1S/C24H28N4O3/c1-15-7-10-19(25-23(30)31-24(4,5)6)14-21(15)26-22(29)18-8-11-20(12-9-18)28-17(3)13-16(2)27-28/h7-14H,1-6H3,(H,25,30)(H,26,29)
InChIKeyCYAGOFBFZJJUKF-UHFFFAOYSA-N
XLogP5.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 166186575
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 39734609
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26760146
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
N-(2-aminophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide;4-(3,5-dimethylpyrazol-1-yl)benzoic acid;4-hydrazinylbenzoic acid
CID 162052991

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate (CID 71910266) is tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate is Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)cc2)n1.
What is the InChIKey of tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate?
The InChIKey is CYAGOFBFZJJUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-7-10-19(25-23(30)31-24(4,5)6)14-21(15)26-22(29)18-8-11-20(12-9-18)28-17(3)13-16(2)27-28/h7-14H,1-6H3,(H,25,30)(H,26,29).
What are the key properties of tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate?
tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate has a molecular weight of 420.51 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate is sourced from PubChem (CID 71910266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).