6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H29ClN4O3 — CID 143131199

IUPAC6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccc(-c2cc3n(n2)CC(Cl)(C(=O)NC2CCCCC2)N(Cc2ccco2)C3=O)cc1
InChIInChI=1S/C26H29ClN4O3/c1-2-18-10-12-19(13-11-18)22-15-23-24(32)30(16-21-9-6-14-34-21)26(27,17-31(23)29-22)25(33)28-20-7-4-3-5-8-20/h6,9-15,20H,2-5,7-8,16-17H2,1H3,(H,28,33)
InChIKeyHZQCGQFLIVHAEY-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.75
Rot. Bonds6

About 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 143131199) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID143131199
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC Name6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccc(-c2cc3n(n2)CC(Cl)(C(=O)NC2CCCCC2)N(Cc2ccco2)C3=O)cc1
InChIInChI=1S/C26H29ClN4O3/c1-2-18-10-12-19(13-11-18)22-15-23-24(32)30(16-21-9-6-14-34-21)26(27,17-31(23)29-22)25(33)28-20-7-4-3-5-8-20/h6,9-15,20H,2-5,7-8,16-17H2,1H3,(H,28,33)
InChIKeyHZQCGQFLIVHAEY-UHFFFAOYSA-N
XLogP4.75
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-5-cyclopentyl-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522444
N-cyclohexyl-2-(4-ethylphenyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522358
(6S)-N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738910
N-cycloheptyl-2-(furan-2-yl)-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272565
N-cyclohexyl-2-(4-ethylphenyl)-5-(2-methoxyethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172105
(6S)-N-cyclohexyl-5-[2-(diethylamino)ethyl]-2-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738915
(6R)-N-cycloheptyl-5-(4-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738658
N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522370
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522202
N-cycloheptyl-5-(3-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272579
N-cycloheptyl-5-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272587
(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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 143131199) is 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccc(-c2cc3n(n2)CC(Cl)(C(=O)NC2CCCCC2)N(Cc2ccco2)C3=O)cc1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is HZQCGQFLIVHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-2-18-10-12-19(13-11-18)22-15-23-24(32)30(16-21-9-6-14-34-21)26(27,17-31(23)29-22)25(33)28-20-7-4-3-5-8-20/h6,9-15,20H,2-5,7-8,16-17H2,1H3,(H,28,33).
What are the key properties of 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-(4-ethylphenyl)-5-(furan-2-ylmethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 143131199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).