3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H17FN4O — CID 121483971

IUPAC3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H17FN4O/c20-15-8-6-14(7-9-15)17-12-21-24-11-10-23(13-18(17)24)19(25)22-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,22,25)
InChIKeyJZZVBRPHAMXJEG-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.74
Rot. Bonds2

About 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121483971) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121483971
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H17FN4O/c20-15-8-6-14(7-9-15)17-12-21-24-11-10-23(13-18(17)24)19(25)22-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,22,25)
InChIKeyJZZVBRPHAMXJEG-UHFFFAOYSA-N
XLogP3.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121483971) is 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccccc1)N1CCn2ncc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is JZZVBRPHAMXJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-8-6-14(7-9-15)17-12-21-24-11-10-23(13-18(17)24)19(25)22-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,22,25).
What are the key properties of 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121483971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).