N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C12H21N3O2 — CID 83031321

IUPACN-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC[C@@H](C)O
InChIInChI=1S/C12H21N3O2/c1-8(16)7-13-12(17)6-5-11-9(2)14-15(4)10(11)3/h8,16H,5-7H2,1-4H3,(H,13,17)/t8-/m1/s1
InChIKeyHMCYHTCTBZPUKW-MRVPVSSYSA-N
MW239.32 g/mol
LogP0.47
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 83031321) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID83031321
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC[C@@H](C)O
InChIInChI=1S/C12H21N3O2/c1-8(16)7-13-12(17)6-5-11-9(2)14-15(4)10(11)3/h8,16H,5-7H2,1-4H3,(H,13,17)/t8-/m1/s1
InChIKeyHMCYHTCTBZPUKW-MRVPVSSYSA-N
XLogP0.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796499
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
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
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
1-(3-hydroxybutyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111337217
N-(1-aminopropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110834085
N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94119173
N-(2-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 65114850

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 83031321) is N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is HMCYHTCTBZPUKW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(16)7-13-12(17)6-5-11-9(2)14-15(4)10(11)3/h8,16H,5-7H2,1-4H3,(H,13,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 83031321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).