5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide

C21H27N5O3 — CID 178179248

IUPAC5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccn3nc(N)c(C(C)C)c3n2)ccc1OC
InChIInChI=1S/C21H27N5O3/c1-5-25(10-11-27)21(28)15-12-14(6-7-17(15)29-4)16-8-9-26-20(23-16)18(13(2)3)19(22)24-26/h6-9,12-13,27H,5,10-11H2,1-4H3,(H2,22,24)
InChIKeyIKAOSLFQRGJFNH-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.56
Rot. Bonds7

About 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide

5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide (PubChem CID 178179248) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide
PubChem CID178179248
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccn3nc(N)c(C(C)C)c3n2)ccc1OC
InChIInChI=1S/C21H27N5O3/c1-5-25(10-11-27)21(28)15-12-14(6-7-17(15)29-4)16-8-9-26-20(23-16)18(13(2)3)19(22)24-26/h6-9,12-13,27H,5,10-11H2,1-4H3,(H2,22,24)
InChIKeyIKAOSLFQRGJFNH-UHFFFAOYSA-N
XLogP2.56
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide
CID 178179224
5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 178179234
2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 112606111
ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129097584
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469295
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide?
The IUPAC name of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide (CID 178179248) is 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide.
What is the SMILES notation for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide?
The canonical SMILES for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide is CCN(CCO)C(=O)c1cc(-c2ccn3nc(N)c(C(C)C)c3n2)ccc1OC.
What is the InChIKey of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide?
The InChIKey is IKAOSLFQRGJFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-5-25(10-11-27)21(28)15-12-14(6-7-17(15)29-4)16-8-9-26-20(23-16)18(13(2)3)19(22)24-26/h6-9,12-13,27H,5,10-11H2,1-4H3,(H2,22,24).
What are the key properties of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide?
5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide has a molecular weight of 397.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide is sourced from PubChem (CID 178179248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).