(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone

C8H12N4O — CID 63755993

IUPAC(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC(N)C2)cn1
InChIInChI=1S/C8H12N4O/c1-11-3-6(2-10-11)8(13)12-4-7(9)5-12/h2-3,7H,4-5,9H2,1H3
InChIKeyXWXCQLGMUZTMDY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.80
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone

(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 63755993) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID63755993
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC(N)C2)cn1
InChIInChI=1S/C8H12N4O/c1-11-3-6(2-10-11)8(13)12-4-7(9)5-12/h2-3,7H,4-5,9H2,1H3
InChIKeyXWXCQLGMUZTMDY-UHFFFAOYSA-N
XLogP-0.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-aminoazetidin-1-yl)-(1-methylpyrazol-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

(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 176873225
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 43596244
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102938421
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(1-methylpyrazol-4-yl)methanone
CID 74881679
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone (CID 63755993) is (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CC(N)C2)cn1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is XWXCQLGMUZTMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-11-3-6(2-10-11)8(13)12-4-7(9)5-12/h2-3,7H,4-5,9H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 180.21 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 63755993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).