7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole

C8H12N2O — CID 149307724

IUPAC7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole
SMILESCC1Cc2[nH]ncc2CCO1
InChIInChI=1S/C8H12N2O/c1-6-4-8-7(2-3-11-6)5-9-10-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyXXZSZPZDILELIR-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.91
Rot. Bonds

About 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole

7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole (PubChem CID 149307724) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole.

Molecular Properties

Compound Name7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole
PubChem CID149307724
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole
SMILESCC1Cc2[nH]ncc2CCO1
InChIInChI=1S/C8H12N2O/c1-6-4-8-7(2-3-11-6)5-9-10-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyXXZSZPZDILELIR-UHFFFAOYSA-N
XLogP0.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole
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4-ethyl-5-(2-methoxyethyl)-1H-pyrazole
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CID 83675163
1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol
CID 83675167
4-Methyl-3-(tetrahydro-3-furanyl)-1H-pyrazole
CID 90029563
3-(2-Methoxyethyl)-4-methyl-1H-pyrazole
CID 90030140
4,5,6,8-tetrahydro-1H-oxepino[4,3-d]pyrazole
CID 90244256
4,6,7,8-tetrahydro-2H-oxepino[4,3-c]pyrazole
CID 90244257
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CID 90690538

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole?
The IUPAC name of 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole (CID 149307724) is 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole.
What is the SMILES notation for 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole?
The canonical SMILES for 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole is CC1Cc2[nH]ncc2CCO1.
What is the InChIKey of 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole?
The InChIKey is XXZSZPZDILELIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-4-8-7(2-3-11-6)5-9-10-8/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole?
7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole has a molecular weight of 152.20 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5,7,8-tetrahydro-1H-oxepino[4,5-d]pyrazole is sourced from PubChem (CID 149307724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).