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

C22H18N4O2 — CID 13476016

IUPACN-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)cc1
InChIInChI=1S/C22H18N4O2/c1-2-20(27)25-17-10-8-15(9-11-17)19-12-13-23-22-18(14-24-26(19)22)21(28)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,27)
InChIKeyVMQVUVFANUQWGH-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.98
Rot. Bonds5

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

N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide (PubChem CID 13476016) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
PubChem CID13476016
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)cc1
InChIInChI=1S/C22H18N4O2/c1-2-20(27)25-17-10-8-15(9-11-17)19-12-13-23-22-18(14-24-26(19)22)21(28)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,27)
InChIKeyVMQVUVFANUQWGH-UHFFFAOYSA-N
XLogP3.98
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.98
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]acetamide
CID 13476013
N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
CID 57280102
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
N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55789547
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
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-ethylethanesulfonamide
CID 11618929
7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855352
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55665568
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide?
The IUPAC name of N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide (CID 13476016) is N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)cc1.
What is the InChIKey of N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide?
The InChIKey is VMQVUVFANUQWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-2-20(27)25-17-10-8-15(9-11-17)19-12-13-23-22-18(14-24-26(19)22)21(28)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,27).
What are the key properties of N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide?
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide has a molecular weight of 370.41 g/mol, XLogP of 3.98, 5 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]propanamide is sourced from PubChem (CID 13476016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).