4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

C18H17N5O3 — CID 155916193

IUPAC4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2=O
InChIInChI=1S/C18H17N5O3/c24-17-16-10-15(18(25)26)20-23(16)9-8-21(17)11-13-4-1-2-5-14(13)12-22-7-3-6-19-22/h1-7,10H,8-9,11-12H2,(H,25,26)
InChIKeyMRHKJERUGJTMKP-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.48
Rot. Bonds5

About 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 155916193) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID155916193
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2=O
InChIInChI=1S/C18H17N5O3/c24-17-16-10-15(18(25)26)20-23(16)9-8-21(17)11-13-4-1-2-5-14(13)12-22-7-3-6-19-22/h1-7,10H,8-9,11-12H2,(H,25,26)
InChIKeyMRHKJERUGJTMKP-UHFFFAOYSA-N
XLogP1.48
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24715546
5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169272
5-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
5-benzyl-2-(4-benzylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077097
N,5-dibenzyl-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078708
N-cyclohexyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077194
5-[(2-methoxyphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077535
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077212
5-[(2-fluorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876400
5-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077476
5-[(2-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169277
N-[3-(diethylamino)-3-oxopropyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049790

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 155916193) is 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2=O.
What is the InChIKey of 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is MRHKJERUGJTMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-17-16-10-15(18(25)26)20-23(16)9-8-21(17)11-13-4-1-2-5-14(13)12-22-7-3-6-19-22/h1-7,10H,8-9,11-12H2,(H,25,26).
What are the key properties of 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 155916193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).