8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one

C11H15N3O — CID 62739615

IUPAC8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCn1cc(N2C3CCC2CC(=O)C3)cn1
InChIInChI=1S/C11H15N3O/c1-13-7-10(6-12-13)14-8-2-3-9(14)5-11(15)4-8/h6-9H,2-5H2,1H3
InChIKeyVNCVBFFVYJWVQC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.12
Rot. Bonds1

About 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one

8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62739615) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62739615
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCn1cc(N2C3CCC2CC(=O)C3)cn1
InChIInChI=1S/C11H15N3O/c1-13-7-10(6-12-13)14-8-2-3-9(14)5-11(15)4-8/h6-9H,2-5H2,1H3
InChIKeyVNCVBFFVYJWVQC-UHFFFAOYSA-N
XLogP1.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(2-methoxyethyl)pyrazol-4-yl]-8-azabicyclo[3.2.1]octan-3-one
CID 62740150
(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 98116144
8-(4-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 55106421
N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712206
8-(3,5-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738555
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 3057566
3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one
CID 116794278
3-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944186
8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62741010
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739931
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712505

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 62739615) is 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one is Cn1cc(N2C3CCC2CC(=O)C3)cn1.
What is the InChIKey of 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is VNCVBFFVYJWVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-7-10(6-12-13)14-8-2-3-9(14)5-11(15)4-8/h6-9H,2-5H2,1H3.
What are the key properties of 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62739615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).