5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C8H13N3 — CID 123852001

IUPAC5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCN1CCCn2nccc2C1
InChIInChI=1S/C8H13N3/c1-10-5-2-6-11-8(7-10)3-4-9-11/h3-4H,2,5-7H2,1H3
InChIKeyNSMYXWZOBAPNDY-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.72
Rot. Bonds

About 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 123852001) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID123852001
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCN1CCCn2nccc2C1
InChIInChI=1S/C8H13N3/c1-10-5-2-6-11-8(7-10)3-4-9-11/h3-4H,2,5-7H2,1H3
InChIKeyNSMYXWZOBAPNDY-UHFFFAOYSA-N
XLogP0.72
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 123852001) is 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CN1CCCn2nccc2C1.
What is the InChIKey of 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is NSMYXWZOBAPNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-10-5-2-6-11-8(7-10)3-4-9-11/h3-4H,2,5-7H2,1H3.
What are the key properties of 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 151.21 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 123852001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).