N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide

C15H17N3O2 — CID 75611382

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide
SMILESCC=CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H17N3O2/c1-4-8-13(19)16-14-11(2)17(3)18(15(14)20)12-9-6-5-7-10-12/h4-10H,1-3H3,(H,16,19)
InChIKeyXFBHMPOUMYIUEH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.00
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide (PubChem CID 75611382) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide
PubChem CID75611382
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide
SMILESCC=CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H17N3O2/c1-4-8-13(19)16-14-11(2)17(3)18(15(14)20)12-9-6-5-7-10-12/h4-10H,1-3H3,(H,16,19)
InChIKeyXFBHMPOUMYIUEH-UHFFFAOYSA-N
XLogP2.00
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
CID 78773635
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
4-[(1,3-dimethyl-5-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid
CID 670504
3-(1,3-benzothiazol-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
CID 4826493
2,2,2-trichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 818335
(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794087
ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
CID 24844252
(Z)-4-[(1,3-dimethyl-5-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoate
CID 2294161
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
CID 119261471

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide (CID 75611382) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide is CC=CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide?
The InChIKey is XFBHMPOUMYIUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-8-13(19)16-14-11(2)17(3)18(15(14)20)12-9-6-5-7-10-12/h4-10H,1-3H3,(H,16,19).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide is sourced from PubChem (CID 75611382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).