2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide

C15H25N3O3 — CID 154485487

IUPAC2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide
SMILESCC(C)(O)Cn1ccc(C(CC2CCOCC2)C(N)=O)n1
InChIInChI=1S/C15H25N3O3/c1-15(2,20)10-18-6-3-13(17-18)12(14(16)19)9-11-4-7-21-8-5-11/h3,6,11-12,20H,4-5,7-10H2,1-2H3,(H2,16,19)
InChIKeyYCXZFDOPYOECKB-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.04
Rot. Bonds6

About 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide

2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide (PubChem CID 154485487) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide
PubChem CID154485487
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide
SMILESCC(C)(O)Cn1ccc(C(CC2CCOCC2)C(N)=O)n1
InChIInChI=1S/C15H25N3O3/c1-15(2,20)10-18-6-3-13(17-18)12(14(16)19)9-11-4-7-21-8-5-11/h3,6,11-12,20H,4-5,7-10H2,1-2H3,(H2,16,19)
InChIKeyYCXZFDOPYOECKB-UHFFFAOYSA-N
XLogP1.04
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide?
The IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide (CID 154485487) is 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide.
What is the SMILES notation for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide?
The canonical SMILES for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide is CC(C)(O)Cn1ccc(C(CC2CCOCC2)C(N)=O)n1.
What is the InChIKey of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide?
The InChIKey is YCXZFDOPYOECKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,20)10-18-6-3-13(17-18)12(14(16)19)9-11-4-7-21-8-5-11/h3,6,11-12,20H,4-5,7-10H2,1-2H3,(H2,16,19).
What are the key properties of 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide?
2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 154485487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).