(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone

C12H14N4O2 — CID 55178974

IUPAC(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
SMILESCn1ncc(C(=O)N2CC(O)C2)c1-n1cccc1
InChIInChI=1S/C12H14N4O2/c1-14-11(15-4-2-3-5-15)10(6-13-14)12(18)16-7-9(17)8-16/h2-6,9,17H,7-8H2,1H3
InChIKeyLNGSZSKKZNLMOX-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.03
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone

(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone (PubChem CID 55178974) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
PubChem CID55178974
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
SMILESCn1ncc(C(=O)N2CC(O)C2)c1-n1cccc1
InChIInChI=1S/C12H14N4O2/c1-14-11(15-4-2-3-5-15)10(6-13-14)12(18)16-7-9(17)8-16/h2-6,9,17H,7-8H2,1H3
InChIKeyLNGSZSKKZNLMOX-UHFFFAOYSA-N
XLogP0.03
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 128988893
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 115875027
(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 58724571
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355439
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 51053358
(6-bromo-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 67361838
4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 67041580
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 33369256
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone;hydrochloride
CID 71963877

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone (CID 55178974) is (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone is Cn1ncc(C(=O)N2CC(O)C2)c1-n1cccc1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
The InChIKey is LNGSZSKKZNLMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-14-11(15-4-2-3-5-15)10(6-13-14)12(18)16-7-9(17)8-16/h2-6,9,17H,7-8H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone?
(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone has a molecular weight of 246.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 55178974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).