N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

C21H27N5O3 — CID 53332434

IUPACN-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1
InChIInChI=1S/C21H27N5O3/c1-4-29-17-7-5-16(6-8-17)18-15-19-21(28)25(13-14-26(19)23-18)11-9-20(27)22-10-12-24(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,27)
InChIKeyVELWXEIMNYJJOQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.63
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide (PubChem CID 53332434) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
PubChem CID53332434
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1
InChIInChI=1S/C21H27N5O3/c1-4-29-17-7-5-16(6-8-17)18-15-19-21(28)25(13-14-26(19)23-18)11-9-20(27)22-10-12-24(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,27)
InChIKeyVELWXEIMNYJJOQ-UHFFFAOYSA-N
XLogP1.63
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332329
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332402
3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95183228
2-(4-ethoxyphenyl)-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332928
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228
N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885496
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide
CID 91892722
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide
CID 91892743
N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 50795645
N-benzyl-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)propanamide
CID 53152439
3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-phenylpropyl)propanamide
CID 53332375
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16804946

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide (CID 53332434) is N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide is CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The InChIKey is VELWXEIMNYJJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-4-29-17-7-5-16(6-8-17)18-15-19-21(28)25(13-14-26(19)23-18)11-9-20(27)22-10-12-24(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide is sourced from PubChem (CID 53332434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).