N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide

C24H22N4O2 — CID 57280102

IUPACN-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
SMILESCCC(=O)NCCc1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1
InChIInChI=1S/C24H22N4O2/c1-2-22(29)25-13-11-17-7-6-10-19(15-17)21-12-14-26-24-20(16-27-28(21)24)23(30)18-8-4-3-5-9-18/h3-10,12,14-16H,2,11,13H2,1H3,(H,25,29)
InChIKeyXGKPVMRKGGLMCS-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.70
Rot. Bonds7

About N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide

N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide (PubChem CID 57280102) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
PubChem CID57280102
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
SMILESCCC(=O)NCCc1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1
InChIInChI=1S/C24H22N4O2/c1-2-22(29)25-13-11-17-7-6-10-19(15-17)21-12-14-26-24-20(16-27-28(21)24)23(30)18-8-4-3-5-9-18/h3-10,12,14-16H,2,11,13H2,1H3,(H,25,29)
InChIKeyXGKPVMRKGGLMCS-UHFFFAOYSA-N
XLogP3.70
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.70
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-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide
CID 11618929
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide
CID 11618626
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
CID 13476003
methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate
CID 11303712
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 13476013
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506856
N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 11668965
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46167866
7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855352

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide?
The IUPAC name of N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide (CID 57280102) is N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide?
The canonical SMILES for N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide is CCC(=O)NCCc1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1.
What is the InChIKey of N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide?
The InChIKey is XGKPVMRKGGLMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-22(29)25-13-11-17-7-6-10-19(15-17)21-12-14-26-24-20(16-27-28(21)24)23(30)18-8-4-3-5-9-18/h3-10,12,14-16H,2,11,13H2,1H3,(H,25,29).
What are the key properties of N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide?
N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide has a molecular weight of 398.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 57280102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).