(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

C10H16N4O2 — CID 107210607

IUPAC(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2c(N)cnn2C)C1
InChIInChI=1S/C10H16N4O2/c1-3-10(16)5-14(6-10)9(15)8-7(11)4-12-13(8)2/h4,16H,3,5-6,11H2,1-2H3
InChIKeyOVVKTMXHTBVZNX-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.40
Rot. Bonds2

About (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 107210607) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID107210607
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2c(N)cnn2C)C1
InChIInChI=1S/C10H16N4O2/c1-3-10(16)5-14(6-10)9(15)8-7(11)4-12-13(8)2/h4,16H,3,5-6,11H2,1-2H3
InChIKeyOVVKTMXHTBVZNX-UHFFFAOYSA-N
XLogP-0.40
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (CID 107210607) is (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is CCC1(O)CN(C(=O)c2c(N)cnn2C)C1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is OVVKTMXHTBVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-10(16)5-14(6-10)9(15)8-7(11)4-12-13(8)2/h4,16H,3,5-6,11H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107210607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).