3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

C20H23N5O2 — CID 166418211

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
SMILESC#CCCC1(CCC(=O)Nc2c(CC)n(C)n(-c3ccccc3)c2=O)N=N1
InChIInChI=1S/C20H23N5O2/c1-4-6-13-20(22-23-20)14-12-17(26)21-18-16(5-2)24(3)25(19(18)27)15-10-8-7-9-11-15/h1,7-11H,5-6,12-14H2,2-3H3,(H,21,26)
InChIKeyOMCYUTHQROTLNC-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.03
Rot. Bonds8

About 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide (PubChem CID 166418211) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
PubChem CID166418211
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
SMILESC#CCCC1(CCC(=O)Nc2c(CC)n(C)n(-c3ccccc3)c2=O)N=N1
InChIInChI=1S/C20H23N5O2/c1-4-6-13-20(22-23-20)14-12-17(26)21-18-16(5-2)24(3)25(19(18)27)15-10-8-7-9-11-15/h1,7-11H,5-6,12-14H2,2-3H3,(H,21,26)
InChIKeyOMCYUTHQROTLNC-UHFFFAOYSA-N
XLogP3.03
TPSA80.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)propanamide
CID 166417624
N-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 166417884
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 166417680
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-methyl-2-phenylpyrrolidin-3-yl)methyl]propanamide
CID 166429773
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]propanamide
CID 166423141
3-(3-but-3-ynyldiazirin-3-yl)-N-(2-indazol-1-ylethyl)propanamide
CID 167985643
3-(3-but-3-ynyldiazirin-3-yl)-N-(2,3-dimethoxyphenyl)propanamide
CID 167922696
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
3-(3-but-3-ynyldiazirin-3-yl)-N-propylpropanamide
CID 170526590
1-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]phenyl]triazole-4-carboxylic acid
CID 154772233
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 154872250

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide (CID 166418211) is 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide is C#CCCC1(CCC(=O)Nc2c(CC)n(C)n(-c3ccccc3)c2=O)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The InChIKey is OMCYUTHQROTLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-6-13-20(22-23-20)14-12-17(26)21-18-16(5-2)24(3)25(19(18)27)15-10-8-7-9-11-15/h1,7-11H,5-6,12-14H2,2-3H3,(H,21,26).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide has a molecular weight of 365.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-(5-ethyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 166418211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).