N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide

C24H28BrN5O — CID 55915866

IUPACN-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)NC(c3ccc(Br)cc3)C3CCC3)c2C)n1
InChIInChI=1S/C24H28BrN5O/c1-14-12-15(2)27-24(26-14)30-17(4)21(16(3)29-30)13-22(31)28-23(18-6-5-7-18)19-8-10-20(25)11-9-19/h8-12,18,23H,5-7,13H2,1-4H3,(H,28,31)
InChIKeyZUALJQWEDAJLNO-UHFFFAOYSA-N
MW482.43 g/mol
LogP4.86
Rot. Bonds6

About N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 55915866) has the molecular formula C24H28BrN5O and a molecular weight of 482.43 g/mol. Its IUPAC name is N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID55915866
Molecular FormulaC24H28BrN5O
Molecular Weight482.43 g/mol
Exact Mass481.15
IUPAC NameN-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)NC(c3ccc(Br)cc3)C3CCC3)c2C)n1
InChIInChI=1S/C24H28BrN5O/c1-14-12-15(2)27-24(26-14)30-17(4)21(16(3)29-30)13-22(31)28-23(18-6-5-7-18)19-8-10-20(25)11-9-19/h8-12,18,23H,5-7,13H2,1-4H3,(H,28,31)
InChIKeyZUALJQWEDAJLNO-UHFFFAOYSA-N
XLogP4.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119458738
2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119211776
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55596547
N-[(4-bromophenyl)-cyclobutylmethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 55915480
N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55581907
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 95191625
2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672775
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 56510980
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 99792583
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
CID 31978876
N-[2-(diethylamino)propyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55675692
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 31908104

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 55915866) is N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC(c3ccc(Br)cc3)C3CCC3)c2C)n1.
What is the InChIKey of N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is ZUALJQWEDAJLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN5O/c1-14-12-15(2)27-24(26-14)30-17(4)21(16(3)29-30)13-22(31)28-23(18-6-5-7-18)19-8-10-20(25)11-9-19/h8-12,18,23H,5-7,13H2,1-4H3,(H,28,31).
What are the key properties of N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 482.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-cyclobutylmethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 55915866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).