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

C15H18N4O — CID 53014811

IUPAC1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one
SMILESCCC(=O)N1CCCn2nc(-c3ccncc3)cc2C1
InChIInChI=1S/C15H18N4O/c1-2-15(20)18-8-3-9-19-13(11-18)10-14(17-19)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyYYUDKIRKJCLYTD-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.09
Rot. Bonds2

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

1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one (PubChem CID 53014811) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one
PubChem CID53014811
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one
SMILESCCC(=O)N1CCCn2nc(-c3ccncc3)cc2C1
InChIInChI=1S/C15H18N4O/c1-2-15(20)18-8-3-9-19-13(11-18)10-14(17-19)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyYYUDKIRKJCLYTD-UHFFFAOYSA-N
XLogP2.09
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one?
The IUPAC name of 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one (CID 53014811) is 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one?
The canonical SMILES for 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one is CCC(=O)N1CCCn2nc(-c3ccncc3)cc2C1.
What is the InChIKey of 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one?
The InChIKey is YYUDKIRKJCLYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-15(20)18-8-3-9-19-13(11-18)10-14(17-19)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3.
What are the key properties of 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one?
1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one has a molecular weight of 270.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one is sourced from PubChem (CID 53014811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).