methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate

C14H16N2O4 — CID 2178252

IUPACmethyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate
SMILESCOC(=O)C1=C(C(C)=O)NN(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H16N2O4/c1-9(17)13-12(14(18)20-3)8-16(15-13)10-4-6-11(19-2)7-5-10/h4-7,15H,8H2,1-3H3
InChIKeyFMYHVJHTJJCYLM-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.04
Rot. Bonds4

About methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate

methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate (PubChem CID 2178252) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate
PubChem CID2178252
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate
SMILESCOC(=O)C1=C(C(C)=O)NN(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H16N2O4/c1-9(17)13-12(14(18)20-3)8-16(15-13)10-4-6-11(19-2)7-5-10/h4-7,15H,8H2,1-3H3
InChIKeyFMYHVJHTJJCYLM-UHFFFAOYSA-N
XLogP1.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 3-(4-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 102280773
methyl (2S)-1-(4-methoxyphenyl)aziridine-2-carboxylate
CID 102355680
5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 126650410
methyl 5-(4-methoxyphenyl)-4,6-dioxo-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
CID 5012999
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 754863
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate
CID 102205487
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate (CID 2178252) is methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate is COC(=O)C1=C(C(C)=O)NN(c2ccc(OC)cc2)C1.
What is the InChIKey of methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate?
The InChIKey is FMYHVJHTJJCYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(17)13-12(14(18)20-3)8-16(15-13)10-4-6-11(19-2)7-5-10/h4-7,15H,8H2,1-3H3.
What are the key properties of methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate?
methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-(4-methoxyphenyl)-1,3-dihydropyrazole-4-carboxylate is sourced from PubChem (CID 2178252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).