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

C23H22N4O3S — CID 11618929

IUPACN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide
SMILESCCN(c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1)S(=O)(=O)CC
InChIInChI=1S/C23H22N4O3S/c1-3-26(31(29,30)4-2)19-12-8-11-18(15-19)21-13-14-24-23-20(16-25-27(21)23)22(28)17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3
InChIKeyBHFDSKRAKXWLDH-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.80
Rot. Bonds7

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

N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide (PubChem CID 11618929) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide
PubChem CID11618929
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide
SMILESCCN(c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1)S(=O)(=O)CC
InChIInChI=1S/C23H22N4O3S/c1-3-26(31(29,30)4-2)19-12-8-11-18(15-19)21-13-14-24-23-20(16-25-27(21)23)22(28)17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3
InChIKeyBHFDSKRAKXWLDH-UHFFFAOYSA-N
XLogP3.80
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.80
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-ethylethanesulfonamide?
The IUPAC name of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide (CID 11618929) is N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide.
What is the SMILES notation for N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide?
The canonical SMILES for N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide is CCN(c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1)S(=O)(=O)CC.
What is the InChIKey of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide?
The InChIKey is BHFDSKRAKXWLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-3-26(31(29,30)4-2)19-12-8-11-18(15-19)21-13-14-24-23-20(16-25-27(21)23)22(28)17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3.
What are the key properties of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide?
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 3.80, 7 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-ethylethanesulfonamide is sourced from PubChem (CID 11618929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).