(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

C11H17N3O2 — CID 104920830

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCCc1nn(C)cc1C(=O)N1CC(CO)C1
InChIInChI=1S/C11H17N3O2/c1-3-10-9(6-13(2)12-10)11(16)14-4-8(5-14)7-15/h6,8,15H,3-5,7H2,1-2H3
InChIKeyVIYOMFKDYONLSJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.05
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 104920830) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID104920830
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCCc1nn(C)cc1C(=O)N1CC(CO)C1
InChIInChI=1S/C11H17N3O2/c1-3-10-9(6-13(2)12-10)11(16)14-4-8(5-14)7-15/h6,8,15H,3-5,7H2,1-2H3
InChIKeyVIYOMFKDYONLSJ-UHFFFAOYSA-N
XLogP0.05
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811396
(3-ethyl-1-methylpyrazol-4-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 102810891
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
(3-ethyl-1-methylpyrazol-4-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 102810985
[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809897
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811080
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809881
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809877
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 103894061
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 104920830) is (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is CCc1nn(C)cc1C(=O)N1CC(CO)C1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is VIYOMFKDYONLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-10-9(6-13(2)12-10)11(16)14-4-8(5-14)7-15/h6,8,15H,3-5,7H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 223.28 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 104920830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).