6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C23H29N5O5 — CID 143131209

IUPAC6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCC1)N(C)C2=O)c1ccc(O)c(O)c1
InChIInChI=1S/C23H29N5O5/c1-13(14-8-9-18(29)19(30)10-14)24-20(31)16-11-17-21(32)27(3)23(2,12-28(17)26-16)22(33)25-15-6-4-5-7-15/h8-11,13,15,29-30H,4-7,12H2,1-3H3,(H,24,31)(H,25,33)
InChIKeyWRJBSTHEOLVHJV-UHFFFAOYSA-N
MW455.52 g/mol
LogP1.69
Rot. Bonds5

About 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 143131209) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID143131209
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC Name6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCC1)N(C)C2=O)c1ccc(O)c(O)c1
InChIInChI=1S/C23H29N5O5/c1-13(14-8-9-18(29)19(30)10-14)24-20(31)16-11-17-21(32)27(3)23(2,12-28(17)26-16)22(33)25-15-6-4-5-7-15/h8-11,13,15,29-30H,4-7,12H2,1-3H3,(H,24,31)(H,25,33)
InChIKeyWRJBSTHEOLVHJV-UHFFFAOYSA-N
XLogP1.69
TPSA136.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743501
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
(6S)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743572
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278778
2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758536
(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743137
(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743269
(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743519

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 143131209) is 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCC1)N(C)C2=O)c1ccc(O)c(O)c1.
What is the InChIKey of 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is WRJBSTHEOLVHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-13(14-8-9-18(29)19(30)10-14)24-20(31)16-11-17-21(32)27(3)23(2,12-28(17)26-16)22(33)25-15-6-4-5-7-15/h8-11,13,15,29-30H,4-7,12H2,1-3H3,(H,24,31)(H,25,33).
What are the key properties of 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 455.52 g/mol, XLogP of 1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 143131209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).