2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C11H16N4O — CID 78912800

IUPAC2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESC#CCNCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C11H16N4O/c1-5-6-12-7-10(16)13-11-8(2)14-15(4)9(11)3/h1,12H,6-7H2,2-4H3,(H,13,16)
InChIKeyUNKHHIMKCPQBBE-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.20
Rot. Bonds4

About 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 78912800) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID78912800
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESC#CCNCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C11H16N4O/c1-5-6-12-7-10(16)13-11-8(2)14-15(4)9(11)3/h1,12H,6-7H2,2-4H3,(H,13,16)
InChIKeyUNKHHIMKCPQBBE-UHFFFAOYSA-N
XLogP0.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287533
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709
ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate
CID 60671988
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]pentanoic acid
CID 43631836
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60686676
2-(2-methoxyethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 103606715
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 78912800) is 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is C#CCNCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is UNKHHIMKCPQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-6-12-7-10(16)13-11-8(2)14-15(4)9(11)3/h1,12H,6-7H2,2-4H3,(H,13,16).
What are the key properties of 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 220.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 78912800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).