methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate

C15H16N2O4 — CID 2746225

IUPACmethyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(C)nn(C(C)=O)c1COc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-10-14(15(19)20-3)13(17(16-10)11(2)18)9-21-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyLARVDNRZGFHERX-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.22
Rot. Bonds4

About methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate

methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate (PubChem CID 2746225) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate
PubChem CID2746225
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(C)nn(C(C)=O)c1COc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-10-14(15(19)20-3)13(17(16-10)11(2)18)9-21-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyLARVDNRZGFHERX-UHFFFAOYSA-N
XLogP2.22
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate (CID 2746225) is methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate is COC(=O)c1c(C)nn(C(C)=O)c1COc1ccccc1.
What is the InChIKey of methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate?
The InChIKey is LARVDNRZGFHERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-14(15(19)20-3)13(17(16-10)11(2)18)9-21-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3.
What are the key properties of methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate?
methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 2746225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).