2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine

C13H23N3O — CID 134612993

IUPAC2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine
SMILESCc1nn(C(C)C)c(C)c1C1NC(C)(C)CO1
InChIInChI=1S/C13H23N3O/c1-8(2)16-10(4)11(9(3)15-16)12-14-13(5,6)7-17-12/h8,12,14H,7H2,1-6H3
InChIKeyGMDGGJVMRKTKLB-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.48
Rot. Bonds2

About 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine

2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine (PubChem CID 134612993) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine
PubChem CID134612993
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine
SMILESCc1nn(C(C)C)c(C)c1C1NC(C)(C)CO1
InChIInChI=1S/C13H23N3O/c1-8(2)16-10(4)11(9(3)15-16)12-14-13(5,6)7-17-12/h8,12,14H,7H2,1-6H3
InChIKeyGMDGGJVMRKTKLB-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine (CID 134612993) is 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine is Cc1nn(C(C)C)c(C)c1C1NC(C)(C)CO1.
What is the InChIKey of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is GMDGGJVMRKTKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)16-10(4)11(9(3)15-16)12-14-13(5,6)7-17-12/h8,12,14H,7H2,1-6H3.
What are the key properties of 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine?
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 237.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 134612993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).