7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C17H16N4O3 — CID 46196965

IUPAC7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCN(C(C)=O)c1cccc(-c2ccnc3c(C(=O)O)cnn23)c1
InChIInChI=1S/C17H16N4O3/c1-3-20(11(2)22)13-6-4-5-12(9-13)15-7-8-18-16-14(17(23)24)10-19-21(15)16/h4-10H,3H2,1-2H3,(H,23,24)
InChIKeyHFUDLEYADSLTOG-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.47
Rot. Bonds4

About 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 46196965) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID46196965
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCN(C(C)=O)c1cccc(-c2ccnc3c(C(=O)O)cnn23)c1
InChIInChI=1S/C17H16N4O3/c1-3-20(11(2)22)13-6-4-5-12(9-13)15-7-8-18-16-14(17(23)24)10-19-21(15)16/h4-10H,3H2,1-2H3,(H,23,24)
InChIKeyHFUDLEYADSLTOG-UHFFFAOYSA-N
XLogP2.47
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
CID 13476003
N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 71526053
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 11149552
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
7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 143687755
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-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide
CID 23649037
N,N-diethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166249777
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936

Frequently Asked Questions

What is the IUPAC name of 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 46196965) is 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCN(C(C)=O)c1cccc(-c2ccnc3c(C(=O)O)cnn23)c1.
What is the InChIKey of 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HFUDLEYADSLTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-3-20(11(2)22)13-6-4-5-12(9-13)15-7-8-18-16-14(17(23)24)10-19-21(15)16/h4-10H,3H2,1-2H3,(H,23,24).
What are the key properties of 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 46196965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).