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

C22H20N4O3S — CID 11618626

IUPACN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1)S(C)(=O)=O
InChIInChI=1S/C22H20N4O3S/c1-3-25(30(2,28)29)18-11-7-10-17(14-18)20-12-13-23-22-19(15-24-26(20)22)21(27)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3
InChIKeyDJMSUINTFHKIQS-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.41
Rot. Bonds6

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

N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide (PubChem CID 11618626) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide
PubChem CID11618626
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1)S(C)(=O)=O
InChIInChI=1S/C22H20N4O3S/c1-3-25(30(2,28)29)18-11-7-10-17(14-18)20-12-13-23-22-19(15-24-26(20)22)21(27)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3
InChIKeyDJMSUINTFHKIQS-UHFFFAOYSA-N
XLogP3.41
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide (CID 11618626) is N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide is CCN(c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide?
The InChIKey is DJMSUINTFHKIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-3-25(30(2,28)29)18-11-7-10-17(14-18)20-12-13-23-22-19(15-24-26(20)22)21(27)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3.
What are the key properties of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide?
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 11618626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).