5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C26H30FN5O2 — CID 16659061

IUPAC5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCN(CC)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(F)cc4)cc3C2=O)cc1
InChIInChI=1S/C26H30FN5O2/c1-3-30(4-2)18-20-7-5-19(6-8-20)13-14-31-15-16-32-24(26(31)34)17-23(29-32)25(33)28-22-11-9-21(27)10-12-22/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,28,33)
InChIKeyDBNSOTVRKSIYII-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.81
Rot. Bonds9

About 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 16659061) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID16659061
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCN(CC)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(F)cc4)cc3C2=O)cc1
InChIInChI=1S/C26H30FN5O2/c1-3-30(4-2)18-20-7-5-19(6-8-20)13-14-31-15-16-32-24(26(31)34)17-23(29-32)25(33)28-22-11-9-21(27)10-12-22/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,28,33)
InChIKeyDBNSOTVRKSIYII-UHFFFAOYSA-N
XLogP3.81
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 16659061) is 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CCN(CC)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(F)cc4)cc3C2=O)cc1.
What is the InChIKey of 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is DBNSOTVRKSIYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-3-30(4-2)18-20-7-5-19(6-8-20)13-14-31-15-16-32-24(26(31)34)17-23(29-32)25(33)28-22-11-9-21(27)10-12-22/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,28,33).
What are the key properties of 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(diethylaminomethyl)phenyl]ethyl]-N-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 16659061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).