methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate

C13H14ClN3O3 — CID 54256485

IUPACmethyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2nc(OC)c(Cl)cc2C)c1C
InChIInChI=1S/C13H14ClN3O3/c1-7-5-10(14)12(19-3)16-11(7)17-8(2)9(6-15-17)13(18)20-4/h5-6H,1-4H3
InChIKeyBDOMRIXSSMEXCX-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.33
Rot. Bonds3

About methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate

methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate (PubChem CID 54256485) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate
PubChem CID54256485
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Namemethyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2nc(OC)c(Cl)cc2C)c1C
InChIInChI=1S/C13H14ClN3O3/c1-7-5-10(14)12(19-3)16-11(7)17-8(2)9(6-15-17)13(18)20-4/h5-6H,1-4H3
InChIKeyBDOMRIXSSMEXCX-UHFFFAOYSA-N
XLogP2.33
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
methyl 5-methyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carboxylate
CID 850465
methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate
CID 86692434
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate
CID 71741355
methyl 5-methyl-1-(5-oxo-2,4-diazabicyclo[4.2.0]octa-1(6),2-dien-3-yl)pyrazole-4-carboxylate
CID 137128026
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 5-carbamoyl-1-(3,5-dichlorophenyl)pyrazole-4-carboxylate
CID 14421313
methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
CID 38239464
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate
CID 142496373
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193
methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate
CID 2745752

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate (CID 54256485) is methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate is COC(=O)c1cnn(-c2nc(OC)c(Cl)cc2C)c1C.
What is the InChIKey of methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate?
The InChIKey is BDOMRIXSSMEXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-7-5-10(14)12(19-3)16-11(7)17-8(2)9(6-15-17)13(18)20-4/h5-6H,1-4H3.
What are the key properties of methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate?
methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate has a molecular weight of 295.73 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-chloro-6-methoxy-3-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 54256485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).