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

C12H13N3O3 — CID 90383264

IUPACmethyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2cccc(OC)n2)cnn1C
InChIInChI=1S/C12H13N3O3/c1-15-11(12(16)18-3)8(7-13-15)9-5-4-6-10(14-9)17-2/h4-7H,1-3H3
InChIKeyDPCGMNSXZCBGIA-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.28
Rot. Bonds3

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

methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate (PubChem CID 90383264) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate
PubChem CID90383264
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2cccc(OC)n2)cnn1C
InChIInChI=1S/C12H13N3O3/c1-15-11(12(16)18-3)8(7-13-15)9-5-4-6-10(14-9)17-2/h4-7H,1-3H3
InChIKeyDPCGMNSXZCBGIA-UHFFFAOYSA-N
XLogP1.28
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate (CID 90383264) is methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate is COC(=O)c1c(-c2cccc(OC)n2)cnn1C.
What is the InChIKey of methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate?
The InChIKey is DPCGMNSXZCBGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15-11(12(16)18-3)8(7-13-15)9-5-4-6-10(14-9)17-2/h4-7H,1-3H3.
What are the key properties of methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate?
methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).