ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate

C13H15N3O3 — CID 22755148

IUPACethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate
SMILESCCOC(=O)NC1=NN(c2ccccc2)C(=O)C1C
InChIInChI=1S/C13H15N3O3/c1-3-19-13(18)14-11-9(2)12(17)16(15-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,18)
InChIKeyGECFVVXUKIYVIC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.73
Rot. Bonds2

About ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate

ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate (PubChem CID 22755148) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate
PubChem CID22755148
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate
SMILESCCOC(=O)NC1=NN(c2ccccc2)C(=O)C1C
InChIInChI=1S/C13H15N3O3/c1-3-19-13(18)14-11-9(2)12(17)16(15-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,18)
InChIKeyGECFVVXUKIYVIC-UHFFFAOYSA-N
XLogP1.73
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 98157977
N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide
CID 98131505
1-[1-(4-chlorophenyl)-4-methyl-5-oxo-4H-pyrazol-3-yl]-3-dodecylurea
CID 20719475
5-(3-acetamido-4-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid
CID 22976843
ethyl 4,5-dioxo-1-phenylpyrazole-3-carboxylate
CID 23446953
ethyl 4,5-dimethyl-2-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]thiophene-3-carboxylate
CID 92538915
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
(4S)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577603
(4R)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577604
[(4S)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl] thiocyanate
CID 27059032
ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
CID 112543896
ethyl N-(2-anilinophenyl)carbamate
CID 12930175

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate?
The IUPAC name of ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate (CID 22755148) is ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate.
What is the SMILES notation for ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate?
The canonical SMILES for ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate is CCOC(=O)NC1=NN(c2ccccc2)C(=O)C1C.
What is the InChIKey of ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate?
The InChIKey is GECFVVXUKIYVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-19-13(18)14-11-9(2)12(17)16(15-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,18).
What are the key properties of ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate?
ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate has a molecular weight of 261.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-methyl-5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 22755148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).