(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate

C13H14N2O3 — CID 47137693

IUPAC(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate
SMILESCOc1ccccc1OC(=O)c1cnn(C)c1C
InChIInChI=1S/C13H14N2O3/c1-9-10(8-14-15(9)2)13(16)18-12-7-5-4-6-11(12)17-3/h4-8H,1-3H3
InChIKeyDVFPJGMUVAZTSN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.96
Rot. Bonds3

About (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate

(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate (PubChem CID 47137693) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate
PubChem CID47137693
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate
SMILESCOc1ccccc1OC(=O)c1cnn(C)c1C
InChIInChI=1S/C13H14N2O3/c1-9-10(8-14-15(9)2)13(16)18-12-7-5-4-6-11(12)17-3/h4-8H,1-3H3
InChIKeyDVFPJGMUVAZTSN-UHFFFAOYSA-N
XLogP1.96
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino(phenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19289965
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19295965
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
(4-bromo-2-nitrophenyl) 1,5-dimethylpyrazole-4-carboxylate
CID 71987647
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19291796
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19296300
(2-methoxyphenyl) 2-bromo-5-methoxybenzoate
CID 8778433
(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 103524383
[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
CID 51097573
(2-methoxyphenyl) 3-methyl-2-nitrobenzoate
CID 8778392

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate (CID 47137693) is (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate is COc1ccccc1OC(=O)c1cnn(C)c1C.
What is the InChIKey of (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate?
The InChIKey is DVFPJGMUVAZTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-10(8-14-15(9)2)13(16)18-12-7-5-4-6-11(12)17-3/h4-8H,1-3H3.
What are the key properties of (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate?
(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 47137693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).