N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H27N3O2 — CID 111446406

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3O2/c1-7-10(2)15(5,20)9-16-14(19)8-13-11(3)17-18(6)12(13)4/h10,20H,7-9H2,1-6H3,(H,16,19)
InChIKeyLJLWVWIXEHVRTM-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.49
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 111446406) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID111446406
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3O2/c1-7-10(2)15(5,20)9-16-14(19)8-13-11(3)17-18(6)12(13)4/h10,20H,7-9H2,1-6H3,(H,16,19)
InChIKeyLJLWVWIXEHVRTM-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
N-(2-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 65114850
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 61261702
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 29303037
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
CID 61342578
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111697460
2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 114144238
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 111446406) is N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCC(C)C(C)(O)CNC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is LJLWVWIXEHVRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-7-10(2)15(5,20)9-16-14(19)8-13-11(3)17-18(6)12(13)4/h10,20H,7-9H2,1-6H3,(H,16,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 111446406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).