2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

C9H15N3 — CID 59008410

IUPAC2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
SMILESCc1c2c(nn1C)CCNCC2
InChIInChI=1S/C9H15N3/c1-7-8-3-5-10-6-4-9(8)11-12(7)2/h10H,3-6H2,1-2H3
InChIKeyPWXYJWWHWRNFMJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.42
Rot. Bonds

About 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine (PubChem CID 59008410) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine.

Molecular Properties

Compound Name2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
PubChem CID59008410
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
SMILESCc1c2c(nn1C)CCNCC2
InChIInChI=1S/C9H15N3/c1-7-8-3-5-10-6-4-9(8)11-12(7)2/h10H,3-6H2,1-2H3
InChIKeyPWXYJWWHWRNFMJ-UHFFFAOYSA-N
XLogP0.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine?
The IUPAC name of 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine (CID 59008410) is 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine.
What is the SMILES notation for 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine?
The canonical SMILES for 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine is Cc1c2c(nn1C)CCNCC2.
What is the InChIKey of 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine?
The InChIKey is PWXYJWWHWRNFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-8-3-5-10-6-4-9(8)11-12(7)2/h10H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine?
2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine has a molecular weight of 165.24 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine is sourced from PubChem (CID 59008410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).