1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone

C14H16N4O — CID 71686886

IUPAC1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
SMILESCC(=O)N1CCCn2nc(-c3cccnc3)cc2C1
InChIInChI=1S/C14H16N4O/c1-11(19)17-6-3-7-18-13(10-17)8-14(16-18)12-4-2-5-15-9-12/h2,4-5,8-9H,3,6-7,10H2,1H3
InChIKeyCGCLNHYYPGOSIC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.70
Rot. Bonds1

About 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone

1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone (PubChem CID 71686886) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
PubChem CID71686886
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
SMILESCC(=O)N1CCCn2nc(-c3cccnc3)cc2C1
InChIInChI=1S/C14H16N4O/c1-11(19)17-6-3-7-18-13(10-17)8-14(16-18)12-4-2-5-15-9-12/h2,4-5,8-9H,3,6-7,10H2,1H3
InChIKeyCGCLNHYYPGOSIC-UHFFFAOYSA-N
XLogP1.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone?
The IUPAC name of 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone (CID 71686886) is 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone.
What is the SMILES notation for 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone?
The canonical SMILES for 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone is CC(=O)N1CCCn2nc(-c3cccnc3)cc2C1.
What is the InChIKey of 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone?
The InChIKey is CGCLNHYYPGOSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11(19)17-6-3-7-18-13(10-17)8-14(16-18)12-4-2-5-15-9-12/h2,4-5,8-9H,3,6-7,10H2,1H3.
What are the key properties of 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone?
1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone has a molecular weight of 256.31 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone is sourced from PubChem (CID 71686886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).