7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone

C12H16N4O2 — CID 176895985

IUPAC7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone
SMILESO=C(c1cc2n(n1)CCC=NC2)N1CCOCC1
InChIInChI=1S/C12H16N4O2/c17-12(15-4-6-18-7-5-15)11-8-10-9-13-2-1-3-16(10)14-11/h2,8H,1,3-7,9H2
InChIKeyYKYXQKOUSCVCJW-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.33
Rot. Bonds1

About 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone

7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone (PubChem CID 176895985) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone
PubChem CID176895985
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone
SMILESO=C(c1cc2n(n1)CCC=NC2)N1CCOCC1
InChIInChI=1S/C12H16N4O2/c17-12(15-4-6-18-7-5-15)11-8-10-9-13-2-1-3-16(10)14-11/h2,8H,1,3-7,9H2
InChIKeyYKYXQKOUSCVCJW-UHFFFAOYSA-N
XLogP0.33
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
[5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone
CID 50980988
[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone
CID 50953270
[5-(4-aminopyridine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50951583
(4-imidazol-1-yl-2-pyridinyl)-morpholin-4-ylmethanone
CID 71801444
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 82188848
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110373271
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 56886009
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 71249567
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154842053
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone?
The IUPAC name of 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone (CID 176895985) is 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone?
The canonical SMILES for 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone is O=C(c1cc2n(n1)CCC=NC2)N1CCOCC1.
What is the InChIKey of 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone?
The InChIKey is YKYXQKOUSCVCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-12(15-4-6-18-7-5-15)11-8-10-9-13-2-1-3-16(10)14-11/h2,8H,1,3-7,9H2.
What are the key properties of 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone?
7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone has a molecular weight of 248.29 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 176895985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).