1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine

C11H19N3 — CID 84665085

IUPAC1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
SMILESCC(C)c1nn(C)c2c1CCNCC2
InChIInChI=1S/C11H19N3/c1-8(2)11-9-4-6-12-7-5-10(9)14(3)13-11/h8,12H,4-7H2,1-3H3
InChIKeyOAKYTPZCPFTGDR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.23
Rot. Bonds1

About 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine

1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine (PubChem CID 84665085) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
PubChem CID84665085
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
SMILESCC(C)c1nn(C)c2c1CCNCC2
InChIInChI=1S/C11H19N3/c1-8(2)11-9-4-6-12-7-5-10(9)14(3)13-11/h8,12H,4-7H2,1-3H3
InChIKeyOAKYTPZCPFTGDR-UHFFFAOYSA-N
XLogP1.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine?
The IUPAC name of 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine (CID 84665085) is 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine is CC(C)c1nn(C)c2c1CCNCC2.
What is the InChIKey of 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine?
The InChIKey is OAKYTPZCPFTGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)11-9-4-6-12-7-5-10(9)14(3)13-11/h8,12H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine?
1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine has a molecular weight of 193.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine is sourced from PubChem (CID 84665085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).