2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H38N4O3 — CID 22522266

IUPAC2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3CC2(C)C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C27H38N4O3/c1-26(2,3)23-17-22-24(32)31(20-13-15-21(34-5)16-14-20)27(4,18-30(22)29-23)25(33)28-19-11-9-7-6-8-10-12-19/h13-17,19H,6-12,18H2,1-5H3,(H,28,33)
InChIKeyPCGZVKJZJBROHQ-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.84
Rot. Bonds4

About 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522266) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID22522266
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC Name2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3CC2(C)C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C27H38N4O3/c1-26(2,3)23-17-22-24(32)31(20-13-15-21(34-5)16-14-20)27(4,18-30(22)29-23)25(33)28-19-11-9-7-6-8-10-12-19/h13-17,19H,6-12,18H2,1-5H3,(H,28,33)
InChIKeyPCGZVKJZJBROHQ-UHFFFAOYSA-N
XLogP4.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2-tert-butyl-N-cycloheptyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738865
(6R)-2-tert-butyl-N-cyclohexyl-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738746
2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522226
(6R)-2-tert-butyl-N-cyclooctyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063305
N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172126
(6R)-2-tert-butyl-N-cyclohexyl-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92903562
2-tert-butyl-N-cyclohexyl-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756568
(6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738770
N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522344
(3S)-N-cyclohexyl-7-methoxy-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739510
ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744934
ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744952

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522266) is 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3CC2(C)C(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is PCGZVKJZJBROHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-26(2,3)23-17-22-24(32)31(20-13-15-21(34-5)16-14-20)27(4,18-30(22)29-23)25(33)28-19-11-9-7-6-8-10-12-19/h13-17,19H,6-12,18H2,1-5H3,(H,28,33).
What are the key properties of 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclooctyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).