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

C14H25N3O2 — CID 79252559

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(CO)C(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)13(8-18)15-14(19)7-6-12-10(3)16-17(5)11(12)4/h9,13,18H,6-8H2,1-5H3,(H,15,19)
InChIKeyGCCTUGQWCONJPP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.10
Rot. Bonds6

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

N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 79252559) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID79252559
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(CO)C(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)13(8-18)15-14(19)7-6-12-10(3)16-17(5)11(12)4/h9,13,18H,6-8H2,1-5H3,(H,15,19)
InChIKeyGCCTUGQWCONJPP-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
N-(1-aminopropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110834085
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131933821
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252751
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 115409753
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290020

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 79252559) is N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is GCCTUGQWCONJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)13(8-18)15-14(19)7-6-12-10(3)16-17(5)11(12)4/h9,13,18H,6-8H2,1-5H3,(H,15,19).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 267.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 79252559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).