methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C26H34N4O5 — CID 46279195

IUPACmethyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOc1ccc(CN2C(=O)c3cc(C(=O)OC)nn3CC2(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C26H34N4O5/c1-4-35-20-13-11-18(12-14-20)16-29-23(31)22-15-21(24(32)34-3)28-30(22)17-26(29,2)25(33)27-19-9-7-5-6-8-10-19/h11-15,19H,4-10,16-17H2,1-3H3,(H,27,33)
InChIKeyCACNLNLJGGGWMI-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.32
Rot. Bonds7

About methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 46279195) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID46279195
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Namemethyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOc1ccc(CN2C(=O)c3cc(C(=O)OC)nn3CC2(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C26H34N4O5/c1-4-35-20-13-11-18(12-14-20)16-29-23(31)22-15-21(24(32)34-3)28-30(22)17-26(29,2)25(33)27-19-9-7-5-6-8-10-19/h11-15,19H,4-10,16-17H2,1-3H3,(H,27,33)
InChIKeyCACNLNLJGGGWMI-UHFFFAOYSA-N
XLogP3.32
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (6S)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744789
methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744788
ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744924
N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272539
ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744952
(6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738861
(6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738770
methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744720
5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758732
ethyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279232
6-N-cycloheptyl-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278818
(6S)-6-N-cyclohexyl-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743451

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 46279195) is methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOc1ccc(CN2C(=O)c3cc(C(=O)OC)nn3CC2(C)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is CACNLNLJGGGWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-4-35-20-13-11-18(12-14-20)16-29-23(31)22-15-21(24(32)34-3)28-30(22)17-26(29,2)25(33)27-19-9-7-5-6-8-10-19/h11-15,19H,4-10,16-17H2,1-3H3,(H,27,33).
What are the key properties of methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 482.58 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 46279195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).