1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone

C13H19N3O — CID 116580777

IUPAC1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2C3CCC(C3)C2N)n1
InChIInChI=1S/C13H19N3O/c1-16-5-4-10(15-16)7-11(17)12-8-2-3-9(6-8)13(12)14/h4-5,8-9,12-13H,2-3,6-7,14H2,1H3
InChIKeyFLGJXGZJBUKSNF-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.91
Rot. Bonds3

About 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 116580777) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID116580777
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2C3CCC(C3)C2N)n1
InChIInChI=1S/C13H19N3O/c1-16-5-4-10(15-16)7-11(17)12-8-2-3-9(6-8)13(12)14/h4-5,8-9,12-13H,2-3,6-7,14H2,1H3
InChIKeyFLGJXGZJBUKSNF-UHFFFAOYSA-N
XLogP0.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone 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

1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
3-[(1-methylpyrazol-3-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 82868704
3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620276
1-(azetidin-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116583711
1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123784
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82869017
2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
CID 82868765
1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868647
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanone
CID 116580716
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116607236
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869346
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone (CID 116580777) is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(CC(=O)C2C3CCC(C3)C2N)n1.
What is the InChIKey of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is FLGJXGZJBUKSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-5-4-10(15-16)7-11(17)12-8-2-3-9(6-8)13(12)14/h4-5,8-9,12-13H,2-3,6-7,14H2,1H3.
What are the key properties of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116580777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).