N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H40N4O4 — CID 22522429

IUPACN-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCOCCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2CC1(C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C28H40N4O4/c1-4-36-18-10-17-31-26(33)25-19-24(21-13-15-23(35-3)16-14-21)30-32(25)20-28(31,2)27(34)29-22-11-8-6-5-7-9-12-22/h13-16,19,22H,4-12,17-18,20H2,1-3H3,(H,29,34)
InChIKeyRMBOMJYNGJDXET-UHFFFAOYSA-N
MW496.65 g/mol
LogP4.43
Rot. Bonds9

About N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522429) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID22522429
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC NameN-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCOCCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2CC1(C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C28H40N4O4/c1-4-36-18-10-17-31-26(33)25-19-24(21-13-15-23(35-3)16-14-21)30-32(25)20-28(31,2)27(34)29-22-11-8-6-5-7-9-12-22/h13-16,19,22H,4-12,17-18,20H2,1-3H3,(H,29,34)
InChIKeyRMBOMJYNGJDXET-UHFFFAOYSA-N
XLogP4.43
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756645
(6S)-N-cycloheptyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(3-propan-2-yloxypropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739033
(6R)-N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(3-propan-2-yloxypropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738905
(6S)-N-cyclohexyl-5-cyclopentyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738963
N-cyclohexyl-2-(4-ethylphenyl)-5-(2-methoxyethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172105
2-tert-butyl-N-cyclooctyl-5-(3-ethoxypropyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522296
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738954
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738944
(3R)-N-cyclohexyl-2-(3-ethoxypropyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739549
(6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738915
(6S)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-[(1R)-1-phenylethyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738971
N-cyclooctyl-5-cyclopentyl-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522444

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522429) is N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCOCCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2CC1(C)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is RMBOMJYNGJDXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-4-36-18-10-17-31-26(33)25-19-24(21-13-15-23(35-3)16-14-21)30-32(25)20-28(31,2)27(34)29-22-11-8-6-5-7-9-12-22/h13-16,19,22H,4-12,17-18,20H2,1-3H3,(H,29,34).
What are the key properties of N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 496.65 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-(3-ethoxypropyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).