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

C23H20N4O2 — CID 13476003

IUPACN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1
InChIInChI=1S/C23H20N4O2/c1-3-26(16(2)28)19-11-7-10-18(14-19)21-12-13-24-23-20(15-25-27(21)23)22(29)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
InChIKeyKIGMFYILJXGFMI-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.00
Rot. Bonds5

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

N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide (PubChem CID 13476003) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
PubChem CID13476003
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1
InChIInChI=1S/C23H20N4O2/c1-3-26(16(2)28)19-11-7-10-18(14-19)21-12-13-24-23-20(15-25-27(21)23)22(29)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
InChIKeyKIGMFYILJXGFMI-UHFFFAOYSA-N
XLogP4.00
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 46196965
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-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 71526053
methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate
CID 11303712
N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 11668965
N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
CID 57280102
7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 143687755
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 13476013
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-2-bromopropanamide
CID 57281182
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
CID 13476016
N-[3-[3-(4-methoxybenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-prop-2-ynylethanesulfonamide
CID 11511222

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide?
The IUPAC name of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide (CID 13476003) is N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide.
What is the SMILES notation for N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide?
The canonical SMILES for N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide is CCN(C(C)=O)c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1.
What is the InChIKey of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide?
The InChIKey is KIGMFYILJXGFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-3-26(16(2)28)19-11-7-10-18(14-19)21-12-13-24-23-20(15-25-27(21)23)22(29)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3.
What are the key properties of N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide?
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide has a molecular weight of 384.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide is sourced from PubChem (CID 13476003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).