N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H25FN4O3 — CID 46272485

IUPACN-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O3/c1-24(23(31)26-17-6-3-2-4-7-17)15-28-20(14-19(27-28)21-8-5-13-32-21)22(30)29(24)18-11-9-16(25)10-12-18/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,26,31)
InChIKeyNVWMIKIGKJVBNG-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.15
Rot. Bonds4

About N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272485) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272485
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O3/c1-24(23(31)26-17-6-3-2-4-7-17)15-28-20(14-19(27-28)21-8-5-13-32-21)22(30)29(24)18-11-9-16(25)10-12-18/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,26,31)
InChIKeyNVWMIKIGKJVBNG-UHFFFAOYSA-N
XLogP4.15
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272485) is N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is NVWMIKIGKJVBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-24(23(31)26-17-6-3-2-4-7-17)15-28-20(14-19(27-28)21-8-5-13-32-21)22(30)29(24)18-11-9-16(25)10-12-18/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,26,31).
What are the key properties of N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).