[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C26H24N4O4 — CID 55665568

IUPAC[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C26H24N4O4/c1-26(2,3)25(33)29-19-11-9-18(10-12-19)22(31)16-34-24(32)20-15-28-30-21(13-14-27-23(20)30)17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,29,33)
InChIKeyFILZEIKRGLEHFS-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.42
Rot. Bonds6

About [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 55665568) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID55665568
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C26H24N4O4/c1-26(2,3)25(33)29-19-11-9-18(10-12-19)22(31)16-34-24(32)20-15-28-30-21(13-14-27-23(20)30)17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,29,33)
InChIKeyFILZEIKRGLEHFS-UHFFFAOYSA-N
XLogP4.42
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-bromobenzoate
CID 7433917
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 13476013
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
CID 13476016
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 30926889
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485152
[1-(3-acetylanilino)-1-oxopropan-2-yl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55665722
ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 12766264
ethyl 7-[3-[(4-chlorobenzoyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969392
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55853108
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7432130
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2,6-dichlorobenzoate
CID 7432891

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 55665568) is [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FILZEIKRGLEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-26(2,3)25(33)29-19-11-9-18(10-12-19)22(31)16-34-24(32)20-15-28-30-21(13-14-27-23(20)30)17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,29,33).
What are the key properties of [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 55665568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).