5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid

C24H24N4O4 — CID 158780230

IUPAC5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nc(C(=O)O)c(C2CCCCC2)o1
InChIInChI=1S/C24H24N4O4/c1-13-18(22-26-19(24(30)31)20(32-22)16-11-7-4-8-12-16)23(29)28-21(25-13)17(14(2)27-28)15-9-5-3-6-10-15/h3,5-6,9-10,16,27H,4,7-8,11-12H2,1-2H3,(H,30,31)
InChIKeyDMFJOJYCPIMIAK-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.71
Rot. Bonds4

About 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid

5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 158780230) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID158780230
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nc(C(=O)O)c(C2CCCCC2)o1
InChIInChI=1S/C24H24N4O4/c1-13-18(22-26-19(24(30)31)20(32-22)16-11-7-4-8-12-16)23(29)28-21(25-13)17(14(2)27-28)15-9-5-3-6-10-15/h3,5-6,9-10,16,27H,4,7-8,11-12H2,1-2H3,(H,30,31)
InChIKeyDMFJOJYCPIMIAK-UHFFFAOYSA-N
XLogP4.71
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-3-phenyl-6-(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 159321696
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 158351709
2,5-dimethyl-6-(4-methyl-1,3-benzoxazol-2-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 160934701
N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 146746840
6-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557252
2,5-dimethyl-3-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4897063
2,5-dimethyl-3-phenyl-6-[4-[2-(prop-1-en-2-ylamino)ethoxy]-1,3-benzoxazol-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157245171
2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496297
6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557528
2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158782475
3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557271

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid (CID 158780230) is 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid is Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nc(C(=O)O)c(C2CCCCC2)o1.
What is the InChIKey of 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is DMFJOJYCPIMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-13-18(22-26-19(24(30)31)20(32-22)16-11-7-4-8-12-16)23(29)28-21(25-13)17(14(2)27-28)15-9-5-3-6-10-15/h3,5-6,9-10,16,27H,4,7-8,11-12H2,1-2H3,(H,30,31).
What are the key properties of 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid?
5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 158780230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).