methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate

C12H13ClN2O3 — CID 674802

IUPACmethyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1
InChIInChI=1S/C12H13ClN2O3/c1-7-11(13)8(2)15(14-7)6-9-4-5-10(18-9)12(16)17-3/h4-5H,6H2,1-3H3
InChIKeyFEOQILZVTJCJQG-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.58
Rot. Bonds3

About methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate

methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate (PubChem CID 674802) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
PubChem CID674802
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Namemethyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1
InChIInChI=1S/C12H13ClN2O3/c1-7-11(13)8(2)15(14-7)6-9-4-5-10(18-9)12(16)17-3/h4-5H,6H2,1-3H3
InChIKeyFEOQILZVTJCJQG-UHFFFAOYSA-N
XLogP2.58
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-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 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate (CID 674802) is methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1.
What is the InChIKey of methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate?
The InChIKey is FEOQILZVTJCJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-7-11(13)8(2)15(14-7)6-9-4-5-10(18-9)12(16)17-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate?
methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate has a molecular weight of 268.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 674802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).