ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C25H34N4O4 — CID 46260978

IUPACethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(CCCc1ccccc1)C2=O
InChIInChI=1S/C25H34N4O4/c1-5-33-23(31)20-16-21-22(30)28(15-9-12-19-10-7-6-8-11-19)25(4,17-29(21)27-20)24(32)26-14-13-18(2)3/h6-8,10-11,16,18H,5,9,12-15,17H2,1-4H3,(H,26,32)
InChIKeyZJVIRQOEKYKVOO-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.07
Rot. Bonds10

About ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 46260978) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID46260978
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Nameethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(CCCc1ccccc1)C2=O
InChIInChI=1S/C25H34N4O4/c1-5-33-23(31)20-16-21-22(30)28(15-9-12-19-10-7-6-8-11-19)25(4,17-29(21)27-20)24(32)26-14-13-18(2)3/h6-8,10-11,16,18H,5,9,12-15,17H2,1-4H3,(H,26,32)
InChIKeyZJVIRQOEKYKVOO-UHFFFAOYSA-N
XLogP3.07
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 46260978) is ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCCC(C)C)N(CCCc1ccccc1)C2=O.
What is the InChIKey of ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is ZJVIRQOEKYKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-5-33-23(31)20-16-21-22(30)28(15-9-12-19-10-7-6-8-11-19)25(4,17-29(21)27-20)24(32)26-14-13-18(2)3/h6-8,10-11,16,18H,5,9,12-15,17H2,1-4H3,(H,26,32).
What are the key properties of ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 454.57 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-(3-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 46260978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).