3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C18H21N3O5 — CID 56888003

IUPAC3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCOc1ccc(C(=O)N2CCn3nc(CCC(=O)O)cc3C2)c(OC)c1
InChIInChI=1S/C18H21N3O5/c1-25-14-4-5-15(16(10-14)26-2)18(24)20-7-8-21-13(11-20)9-12(19-21)3-6-17(22)23/h4-5,9-10H,3,6-8,11H2,1-2H3,(H,22,23)
InChIKeyCDJMOSDKISZFSX-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.57
Rot. Bonds6

About 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 56888003) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID56888003
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCOc1ccc(C(=O)N2CCn3nc(CCC(=O)O)cc3C2)c(OC)c1
InChIInChI=1S/C18H21N3O5/c1-25-14-4-5-15(16(10-14)26-2)18(24)20-7-8-21-13(11-20)9-12(19-21)3-6-17(22)23/h4-5,9-10H,3,6-8,11H2,1-2H3,(H,22,23)
InChIKeyCDJMOSDKISZFSX-UHFFFAOYSA-N
XLogP1.57
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56910109
3-[5-(3,4-difluorobenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56906037
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 72853233
[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone
CID 91781665
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 56888003) is 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is COc1ccc(C(=O)N2CCn3nc(CCC(=O)O)cc3C2)c(OC)c1.
What is the InChIKey of 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is CDJMOSDKISZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-25-14-4-5-15(16(10-14)26-2)18(24)20-7-8-21-13(11-20)9-12(19-21)3-6-17(22)23/h4-5,9-10H,3,6-8,11H2,1-2H3,(H,22,23).
What are the key properties of 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 359.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 56888003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).