1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one

C14H21N3O2 — CID 154754283

IUPAC1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
SMILESCc1n[nH]c(C)c1C(C)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C14H21N3O2/c1-8(12-9(2)15-16-10(12)3)13(18)17-6-14(19,7-17)11-4-5-11/h8,11,19H,4-7H2,1-3H3,(H,15,16)
InChIKeyUZVCMQCYRUYADB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds3

About 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one

1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one (PubChem CID 154754283) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
PubChem CID154754283
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
SMILESCc1n[nH]c(C)c1C(C)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C14H21N3O2/c1-8(12-9(2)15-16-10(12)3)13(18)17-6-14(19,7-17)11-4-5-11/h8,11,19H,4-7H2,1-3H3,(H,15,16)
InChIKeyUZVCMQCYRUYADB-UHFFFAOYSA-N
XLogP1.11
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one (CID 154754283) is 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one is Cc1n[nH]c(C)c1C(C)C(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one?
The InChIKey is UZVCMQCYRUYADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(12-9(2)15-16-10(12)3)13(18)17-6-14(19,7-17)11-4-5-11/h8,11,19H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one?
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 154754283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).