1H-pyrazolo[1,5-a][1,4]diazepine

C7H7N3 — CID 122639030

IUPAC1H-pyrazolo[1,5-a][1,4]diazepine
SMILESC1=CN2NC=CC2=CN=C1
InChIInChI=1S/C7H7N3/c1-3-8-6-7-2-4-9-10(7)5-1/h1-6,9H
InChIKeyPRXPEJJSKFNYFF-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.76
Rot. Bonds

About 1H-pyrazolo[1,5-a][1,4]diazepine

1H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 122639030) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name1H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID122639030
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1H-pyrazolo[1,5-a][1,4]diazepine
SMILESC1=CN2NC=CC2=CN=C1
InChIInChI=1S/C7H7N3/c1-3-8-6-7-2-4-9-10(7)5-1/h1-6,9H
InChIKeyPRXPEJJSKFNYFF-UHFFFAOYSA-N
XLogP0.76
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 1H-pyrazolo[1,5-a][1,4]diazepine (CID 122639030) is 1H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 1H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 1H-pyrazolo[1,5-a][1,4]diazepine is C1=CN2NC=CC2=CN=C1.
What is the InChIKey of 1H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is PRXPEJJSKFNYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-3-8-6-7-2-4-9-10(7)5-1/h1-6,9H.
What are the key properties of 1H-pyrazolo[1,5-a][1,4]diazepine?
1H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 133.15 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 122639030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).