5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C20H25N5O3 — CID 50971960

IUPAC5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(=O)N1CCn2nc(C(=O)NCCC(=O)Nc3cc(C)ccc3C)cc2C1
InChIInChI=1S/C20H25N5O3/c1-13-4-5-14(2)17(10-13)22-19(27)6-7-21-20(28)18-11-16-12-24(15(3)26)8-9-25(16)23-18/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyWBTMMPPGJQUWOT-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.62
Rot. Bonds5

About 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50971960) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50971960
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(=O)N1CCn2nc(C(=O)NCCC(=O)Nc3cc(C)ccc3C)cc2C1
InChIInChI=1S/C20H25N5O3/c1-13-4-5-14(2)17(10-13)22-19(27)6-7-21-20(28)18-11-16-12-24(15(3)26)8-9-25(16)23-18/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyWBTMMPPGJQUWOT-UHFFFAOYSA-N
XLogP1.62
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]butanamide
CID 40803264
N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742184
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345915
2-(4-acetylpiperazin-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9033807
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]pentanamide
CID 40803266
5-acetyl-N-[(2S)-2-hydroxy-2-phenylethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95200031
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50974131
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]piperazine-1-carboxylate;oxalic acid
CID 171154401
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50971960) is 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CC(=O)N1CCn2nc(C(=O)NCCC(=O)Nc3cc(C)ccc3C)cc2C1.
What is the InChIKey of 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is WBTMMPPGJQUWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-4-5-14(2)17(10-13)22-19(27)6-7-21-20(28)18-11-16-12-24(15(3)26)8-9-25(16)23-18/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,28)(H,22,27).
What are the key properties of 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50971960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).