2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide

C13H21N3O2 — CID 71810166

IUPAC2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)12(17)15-10-8-14-16(9-10)11-4-6-18-7-5-11/h8-9,11H,4-7H2,1-3H3,(H,15,17)
InChIKeyFSTRCTQZVJTNCC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.22
Rot. Bonds2

About 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide

2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide (PubChem CID 71810166) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
PubChem CID71810166
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)12(17)15-10-8-14-16(9-10)11-4-6-18-7-5-11/h8-9,11H,4-7H2,1-3H3,(H,15,17)
InChIKeyFSTRCTQZVJTNCC-UHFFFAOYSA-N
XLogP2.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide (CID 71810166) is 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide is CC(C)(C)C(=O)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The InChIKey is FSTRCTQZVJTNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)12(17)15-10-8-14-16(9-10)11-4-6-18-7-5-11/h8-9,11H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 71810166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).