ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate

C14H15N3O3 — CID 24844252

IUPACethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
SMILESC=COC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C14H15N3O3/c1-4-20-14(19)15-12-10(2)16(3)17(13(12)18)11-8-6-5-7-9-11/h4-9H,1H2,2-3H3,(H,15,19)
InChIKeyJZWAHTVIXKJUGH-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.18
Rot. Bonds3

About ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate

ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate (PubChem CID 24844252) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nameethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
PubChem CID24844252
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
SMILESC=COC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C14H15N3O3/c1-4-20-14(19)15-12-10(2)16(3)17(13(12)18)11-8-6-5-7-9-11/h4-9H,1H2,2-3H3,(H,15,19)
InChIKeyJZWAHTVIXKJUGH-UHFFFAOYSA-N
XLogP2.18
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide
CID 75611382
cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
CID 24844248
2,2,2-trichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 818335
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methoxy-2-phenylacetamide
CID 40612688
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
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-bis(prop-2-enyl)thiourea
CID 23820350
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225

Frequently Asked Questions

What is the IUPAC name of ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate?
The IUPAC name of ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate (CID 24844252) is ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate.
What is the SMILES notation for ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate?
The canonical SMILES for ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate is C=COC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate?
The InChIKey is JZWAHTVIXKJUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-4-20-14(19)15-12-10(2)16(3)17(13(12)18)11-8-6-5-7-9-11/h4-9H,1H2,2-3H3,(H,15,19).
What are the key properties of ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate?
ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate has a molecular weight of 273.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate is sourced from PubChem (CID 24844252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).