(2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C18H19FN4O3 — CID 134787973

IUPAC(2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1ccccc1F)N1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C18H19FN4O3/c19-15-4-2-1-3-13(15)17(24)22-5-6-23-16(12-22)14(11-20-23)18(25)21-7-9-26-10-8-21/h1-4,11H,5-10,12H2
InChIKeyJBQVWFGSKZBZGT-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.15
Rot. Bonds2

About (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 134787973) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID134787973
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name(2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1ccccc1F)N1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C18H19FN4O3/c19-15-4-2-1-3-13(15)17(24)22-5-6-23-16(12-22)14(11-20-23)18(25)21-7-9-26-10-8-21/h1-4,11H,5-10,12H2
InChIKeyJBQVWFGSKZBZGT-UHFFFAOYSA-N
XLogP1.15
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
CID 6619939
N-[2-(morpholin-4-yl)ethyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 17469911
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268020
[5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
CID 146641758
Tert-butyl 4-[1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 16023765
Tert-butyl 4-[1-(3-fluorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023950
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
CID 24792130
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-morpholin-4-ylbenzamide
CID 24819235
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
CID 57394858
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 57398388

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 134787973) is (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1ccccc1F)N1CCn2ncc(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is JBQVWFGSKZBZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-15-4-2-1-3-13(15)17(24)22-5-6-23-16(12-22)14(11-20-23)18(25)21-7-9-26-10-8-21/h1-4,11H,5-10,12H2.
What are the key properties of (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 358.37 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 134787973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).