(2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C12H17N3O — CID 95348451

IUPAC(2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESC#CCNC(=O)[C@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C12H17N3O/c1-6-7-13-12(16)8(2)11-9(3)14-15(5)10(11)4/h1,8H,7H2,2-5H3,(H,13,16)/t8-/m1/s1
InChIKeyWYYOMDRQIOJHKT-MRVPVSSYSA-N
MW219.29 g/mol
LogP0.89
Rot. Bonds3

About (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95348451) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95348451
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESC#CCNC(=O)[C@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C12H17N3O/c1-6-7-13-12(16)8(2)11-9(3)14-15(5)10(11)4/h1,8H,7H2,2-5H3,(H,13,16)/t8-/m1/s1
InChIKeyWYYOMDRQIOJHKT-MRVPVSSYSA-N
XLogP0.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71935380
2-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 119223550
2-benzyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119233623
(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796021
(2S)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 100836629
(3S)-3-(2-chlorophenyl)-3-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 97233551
(2R)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95592122
N'-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]thiophene-2-carbohydrazide
CID 97001668
N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 56783461
N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 71882069
2-(4-chlorophenyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 120977757
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 95623237

Frequently Asked Questions

What is the IUPAC name of (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95348451) is (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is C#CCNC(=O)[C@H](C)c1c(C)nn(C)c1C.
What is the InChIKey of (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is WYYOMDRQIOJHKT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-6-7-13-12(16)8(2)11-9(3)14-15(5)10(11)4/h1,8H,7H2,2-5H3,(H,13,16)/t8-/m1/s1.
What are the key properties of (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 219.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95348451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).