1-methyl-6H-pyrazolo[5,4-b]azepine

C8H9N3 — CID 123366036

IUPAC1-methyl-6H-pyrazolo[5,4-b]azepine
SMILESCn1ncc2c1N=CCC=C2
InChIInChI=1S/C8H9N3/c1-11-8-7(6-10-11)4-2-3-5-9-8/h2,4-6H,3H2,1H3
InChIKeyHTOAVOKSTQTQOZ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.54
Rot. Bonds

About 1-methyl-6H-pyrazolo[5,4-b]azepine

1-methyl-6H-pyrazolo[5,4-b]azepine (PubChem CID 123366036) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-methyl-6H-pyrazolo[5,4-b]azepine.

Molecular Properties

Compound Name1-methyl-6H-pyrazolo[5,4-b]azepine
PubChem CID123366036
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1-methyl-6H-pyrazolo[5,4-b]azepine
SMILESCn1ncc2c1N=CCC=C2
InChIInChI=1S/C8H9N3/c1-11-8-7(6-10-11)4-2-3-5-9-8/h2,4-6H,3H2,1H3
InChIKeyHTOAVOKSTQTQOZ-UHFFFAOYSA-N
XLogP1.54
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(1E,3Z)-3-(1-fluoroethyl)-2-methylhexa-1,3,5-trienyl]-1-methylpyrazol-3-amine
CID 166689126
1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 67952496
1-Methyl-4-prop-1-enylpyrazole
CID 77437449
(Z)-N-(1,4-dimethylpyrazol-5-yl)prop-2-en-1-imine
CID 117609518
4-[(E)-but-1-enyl]-1-methylpyrazole
CID 121278060
1-Methyl-4-pent-1-enylpyrazol-5-amine
CID 123377825
1,8-dimethyl-6H-pyrazolo[5,4-b]azepin-8-ium
CID 123999754
1-methyl-4-[(E)-pent-1-enyl]pyrazole
CID 125476247
1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole
CID 132070015
4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine
CID 139562231
N-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)methanimine
CID 141890922
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole
CID 143224012

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6H-pyrazolo[5,4-b]azepine?
The IUPAC name of 1-methyl-6H-pyrazolo[5,4-b]azepine (CID 123366036) is 1-methyl-6H-pyrazolo[5,4-b]azepine.
What is the SMILES notation for 1-methyl-6H-pyrazolo[5,4-b]azepine?
The canonical SMILES for 1-methyl-6H-pyrazolo[5,4-b]azepine is Cn1ncc2c1N=CCC=C2.
What is the InChIKey of 1-methyl-6H-pyrazolo[5,4-b]azepine?
The InChIKey is HTOAVOKSTQTQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-11-8-7(6-10-11)4-2-3-5-9-8/h2,4-6H,3H2,1H3.
What are the key properties of 1-methyl-6H-pyrazolo[5,4-b]azepine?
1-methyl-6H-pyrazolo[5,4-b]azepine has a molecular weight of 147.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6H-pyrazolo[5,4-b]azepine is sourced from PubChem (CID 123366036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).