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

C8H11N3O2 — CID 63105085

IUPAC(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC(O)C2)cn1
InChIInChI=1S/C8H11N3O2/c1-10-3-6(2-9-10)8(13)11-4-7(12)5-11/h2-3,7,12H,4-5H2,1H3
InChIKeyNAXVYNFRCHKJOZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.76
Rot. Bonds1

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

(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 63105085) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID63105085
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC(O)C2)cn1
InChIInChI=1S/C8H11N3O2/c1-10-3-6(2-9-10)8(13)11-4-7(12)5-11/h2-3,7,12H,4-5H2,1H3
InChIKeyNAXVYNFRCHKJOZ-UHFFFAOYSA-N
XLogP-0.76
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
[(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
[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 176873225
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(1-methylpyrazol-4-yl)methanone
CID 74881679
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 43596244
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102938421
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 128954239
N,N,1-trimethyl-4-(1-methylpyrazole-4-carbonyl)piperazine-2-carboxamide
CID 110086004
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone (CID 63105085) is (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CC(O)C2)cn1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is NAXVYNFRCHKJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-10-3-6(2-9-10)8(13)11-4-7(12)5-11/h2-3,7,12H,4-5H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 63105085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).