methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate

C15H16N2O4 — CID 139218879

IUPACmethyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate
SMILESCOC(=O)CCc1cc(C(=O)OC)n(-c2ccccc2)n1
InChIInChI=1S/C15H16N2O4/c1-20-14(18)9-8-11-10-13(15(19)21-2)17(16-11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKeyHROLLODZAZCTAF-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.76
Rot. Bonds5

About methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate

methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate (PubChem CID 139218879) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate
PubChem CID139218879
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate
SMILESCOC(=O)CCc1cc(C(=O)OC)n(-c2ccccc2)n1
InChIInChI=1S/C15H16N2O4/c1-20-14(18)9-8-11-10-13(15(19)21-2)17(16-11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKeyHROLLODZAZCTAF-UHFFFAOYSA-N
XLogP1.76
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-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 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate (CID 139218879) is methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate is COC(=O)CCc1cc(C(=O)OC)n(-c2ccccc2)n1.
What is the InChIKey of methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate?
The InChIKey is HROLLODZAZCTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-14(18)9-8-11-10-13(15(19)21-2)17(16-11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3.
What are the key properties of methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate?
methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxy-3-oxopropyl)-1-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 139218879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).