N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide

C15H26N4O2 — CID 86786826

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCc1cc(NC(=O)C(NC2CCOCC2)C(C)C)n(C)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)14(16-12-5-7-21-8-6-12)15(20)17-13-9-11(3)18-19(13)4/h9-10,12,14,16H,5-8H2,1-4H3,(H,17,20)
InChIKeyNRHXKIIVKXDJDG-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.46
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide

N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide (PubChem CID 86786826) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide
PubChem CID86786826
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCc1cc(NC(=O)C(NC2CCOCC2)C(C)C)n(C)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)14(16-12-5-7-21-8-6-12)15(20)17-13-9-11(3)18-19(13)4/h9-10,12,14,16H,5-8H2,1-4H3,(H,17,20)
InChIKeyNRHXKIIVKXDJDG-UHFFFAOYSA-N
XLogP1.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide (CID 86786826) is N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide is Cc1cc(NC(=O)C(NC2CCOCC2)C(C)C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The InChIKey is NRHXKIIVKXDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)14(16-12-5-7-21-8-6-12)15(20)17-13-9-11(3)18-19(13)4/h9-10,12,14,16H,5-8H2,1-4H3,(H,17,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide has a molecular weight of 294.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide is sourced from PubChem (CID 86786826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).