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

C23H26N4O4 — CID 46272486

IUPACN-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccco1
InChIInChI=1S/C23H26N4O4/c1-23(22(29)24-16-7-3-2-4-8-16)15-27-19(13-18(25-27)20-10-6-12-31-20)21(28)26(23)14-17-9-5-11-30-17/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,24,29)
InChIKeyBIAWZWYFFDJCRJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.60
Rot. Bonds5

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

N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272486) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272486
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccco1
InChIInChI=1S/C23H26N4O4/c1-23(22(29)24-16-7-3-2-4-8-16)15-27-19(13-18(25-27)20-10-6-12-31-20)21(28)26(23)14-17-9-5-11-30-17/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,24,29)
InChIKeyBIAWZWYFFDJCRJ-UHFFFAOYSA-N
XLogP3.60
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272486) is N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccco1.
What is the InChIKey of N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is BIAWZWYFFDJCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-23(22(29)24-16-7-3-2-4-8-16)15-27-19(13-18(25-27)20-10-6-12-31-20)21(28)26(23)14-17-9-5-11-30-17/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,24,29).
What are the key properties of N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(furan-2-yl)-5-(furan-2-ylmethyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).