5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C15H20N4 — CID 169145464

IUPAC5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCC(C)N1CCCn2nc(-c3ccccn3)cc2C1
InChIInChI=1S/C15H20N4/c1-12(2)18-8-5-9-19-13(11-18)10-15(17-19)14-6-3-4-7-16-14/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3
InChIKeyBAHFCHSTEDBYNW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.56
Rot. Bonds2

About 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 169145464) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID169145464
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCC(C)N1CCCn2nc(-c3ccccn3)cc2C1
InChIInChI=1S/C15H20N4/c1-12(2)18-8-5-9-19-13(11-18)10-15(17-19)14-6-3-4-7-16-14/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3
InChIKeyBAHFCHSTEDBYNW-UHFFFAOYSA-N
XLogP2.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 169145464) is 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CC(C)N1CCCn2nc(-c3ccccn3)cc2C1.
What is the InChIKey of 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is BAHFCHSTEDBYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(2)18-8-5-9-19-13(11-18)10-15(17-19)14-6-3-4-7-16-14/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 256.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 169145464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).