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

C21H21FN4O — CID 142799183

IUPAC3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCc1cccc(-c2cc(-c3cnn4c3CN(C(N)=O)CC4)ccc2F)c1
InChIInChI=1S/C21H21FN4O/c1-2-14-4-3-5-15(10-14)17-11-16(6-7-19(17)22)18-12-24-26-9-8-25(21(23)27)13-20(18)26/h3-7,10-12H,2,8-9,13H2,1H3,(H2,23,27)
InChIKeyKETCCSWNSTYRJV-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.81
Rot. Bonds3

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

3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 142799183) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID142799183
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCc1cccc(-c2cc(-c3cnn4c3CN(C(N)=O)CC4)ccc2F)c1
InChIInChI=1S/C21H21FN4O/c1-2-14-4-3-5-15(10-14)17-11-16(6-7-19(17)22)18-12-24-26-9-8-25(21(23)27)13-20(18)26/h3-7,10-12H,2,8-9,13H2,1H3,(H2,23,27)
InChIKeyKETCCSWNSTYRJV-UHFFFAOYSA-N
XLogP3.81
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 142799183) is 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CCc1cccc(-c2cc(-c3cnn4c3CN(C(N)=O)CC4)ccc2F)c1.
What is the InChIKey of 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is KETCCSWNSTYRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-14-4-3-5-15(10-14)17-11-16(6-7-19(17)22)18-12-24-26-9-8-25(21(23)27)13-20(18)26/h3-7,10-12H,2,8-9,13H2,1H3,(H2,23,27).
What are the key properties of 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 142799183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).