7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone

C12H17N3O — CID 116575868

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)C2CC3CCC2N3)cn1
InChIInChI=1S/C12H17N3O/c1-2-15-7-8(6-13-15)12(16)10-5-9-3-4-11(10)14-9/h6-7,9-11,14H,2-5H2,1H3
InChIKeyMNNBCZQOTUXNEJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.23
Rot. Bonds3

About 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone

7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone (PubChem CID 116575868) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone
PubChem CID116575868
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)C2CC3CCC2N3)cn1
InChIInChI=1S/C12H17N3O/c1-2-15-7-8(6-13-15)12(16)10-5-9-3-4-11(10)14-9/h6-7,9-11,14H,2-5H2,1H3
InChIKeyMNNBCZQOTUXNEJ-UHFFFAOYSA-N
XLogP1.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-aminocyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 116580054
(1-ethylpyrazol-4-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171950694
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385636
(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone
CID 105083220
(1,1-dioxothiolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 115336218
(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 116587363
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 107186691
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-ethylpyrazol-4-yl)methanone;hydrochloride
CID 119636568
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone (CID 116575868) is 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)C2CC3CCC2N3)cn1.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is MNNBCZQOTUXNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15-7-8(6-13-15)12(16)10-5-9-3-4-11(10)14-9/h6-7,9-11,14H,2-5H2,1H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 116575868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).