N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H27N3O2 — CID 103895626

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C15H27N3O2/c1-10-12(11(2)18(7)17-10)8-9-13(19)16-14(3,4)15(5,6)20/h20H,8-9H2,1-7H3,(H,16,19)
InChIKeyYGIMGOZEUUZMHH-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.64
Rot. Bonds5

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 103895626) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID103895626
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C15H27N3O2/c1-10-12(11(2)18(7)17-10)8-9-13(19)16-14(3,4)15(5,6)20/h20H,8-9H2,1-7H3,(H,16,19)
InChIKeyYGIMGOZEUUZMHH-UHFFFAOYSA-N
XLogP1.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 62043286
N-(2-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 65114850
2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 43619012
N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131933821
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
N-(1-aminopropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110834085
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 115409753

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 103895626) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is YGIMGOZEUUZMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10-12(11(2)18(7)17-10)8-9-13(19)16-14(3,4)15(5,6)20/h20H,8-9H2,1-7H3,(H,16,19).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 281.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 103895626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).