N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide

C21H16N4O2 — CID 13476013

IUPACN-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)cc1
InChIInChI=1S/C21H16N4O2/c1-14(26)24-17-9-7-15(8-10-17)19-11-12-22-21-18(13-23-25(19)21)20(27)16-5-3-2-4-6-16/h2-13H,1H3,(H,24,26)
InChIKeyYTEPOWGMOCXFNO-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.59
Rot. Bonds4

About N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide

N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide (PubChem CID 13476013) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
PubChem CID13476013
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)cc1
InChIInChI=1S/C21H16N4O2/c1-14(26)24-17-9-7-15(8-10-17)19-11-12-22-21-18(13-23-25(19)21)20(27)16-5-3-2-4-6-16/h2-13H,1H3,(H,24,26)
InChIKeyYTEPOWGMOCXFNO-UHFFFAOYSA-N
XLogP3.59
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
CID 13476016
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-2-bromopropanamide
CID 57281182
methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate
CID 11303712
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
CID 13476003
[1-(3-acetylanilino)-1-oxopropan-2-yl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55665722
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
7-(3-methylphenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24712200
N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
CID 57280102
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] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55665568
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide
CID 11618929

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide (CID 13476013) is N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)cc1.
What is the InChIKey of N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The InChIKey is YTEPOWGMOCXFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14(26)24-17-9-7-15(8-10-17)19-11-12-22-21-18(13-23-25(19)21)20(27)16-5-3-2-4-6-16/h2-13H,1H3,(H,24,26).
What are the key properties of N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide is sourced from PubChem (CID 13476013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).