N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

C18H21N5O — CID 71526053

IUPACN-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESCCN(C(C)=O)c1cccc(-c2ccnc3c(CNC)cnn23)c1
InChIInChI=1S/C18H21N5O/c1-4-22(13(2)24)16-7-5-6-14(10-16)17-8-9-20-18-15(11-19-3)12-21-23(17)18/h5-10,12,19H,4,11H2,1-3H3
InChIKeyWGACJXRVRTZJQE-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 71526053) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
PubChem CID71526053
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESCCN(C(C)=O)c1cccc(-c2ccnc3c(CNC)cnn23)c1
InChIInChI=1S/C18H21N5O/c1-4-22(13(2)24)16-7-5-6-14(10-16)17-8-9-20-18-15(11-19-3)12-21-23(17)18/h5-10,12,19H,4,11H2,1-3H3
InChIKeyWGACJXRVRTZJQE-UHFFFAOYSA-N
XLogP2.49
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
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-ethylacetamide
CID 13476003
7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 143687755
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide
CID 11618929
N-tert-butyl-N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-oxobutanamide
CID 87173811
(2R)-2-amino-3-hydroxypropanoic acid;N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide;methyl 2-phenyl-2-piperidin-2-ylacetate
CID 68832154
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide
CID 11618626
N-(3-acetylphenyl)acetamide;5-amino-1H-pyrazole-4-carbonitrile;N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide;N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide;N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide
CID 160951937
N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 11668965
N-ethyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 11697899
methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate
CID 11303712
N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 10383110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The IUPAC name of N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (CID 71526053) is N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The canonical SMILES for N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is CCN(C(C)=O)c1cccc(-c2ccnc3c(CNC)cnn23)c1.
What is the InChIKey of N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The InChIKey is WGACJXRVRTZJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-22(13(2)24)16-7-5-6-14(10-16)17-8-9-20-18-15(11-19-3)12-21-23(17)18/h5-10,12,19H,4,11H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 71526053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).