methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate

C14H17N3O2 — CID 118192267

IUPACmethyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
SMILESCCc1cc(C)c(-c2cc(C(=O)OC)nn2C)cn1
InChIInChI=1S/C14H17N3O2/c1-5-10-6-9(2)11(8-15-10)13-7-12(14(18)19-4)16-17(13)3/h6-8H,5H2,1-4H3
InChIKeyGUJMCWFFJZDIFI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.14
Rot. Bonds3

About methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate

methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate (PubChem CID 118192267) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
PubChem CID118192267
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
SMILESCCc1cc(C)c(-c2cc(C(=O)OC)nn2C)cn1
InChIInChI=1S/C14H17N3O2/c1-5-10-6-9(2)11(8-15-10)13-7-12(14(18)19-4)16-17(13)3/h6-8H,5H2,1-4H3
InChIKeyGUJMCWFFJZDIFI-UHFFFAOYSA-N
XLogP2.14
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118130839
ethyl 5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118148827
5-(5-methoxycarbonyl-2,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117465698
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
methyl 5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylate
CID 178145941
methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
CID 66989245
methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate
CID 11333961
methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117475284

Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate (CID 118192267) is methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate is CCc1cc(C)c(-c2cc(C(=O)OC)nn2C)cn1.
What is the InChIKey of methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate?
The InChIKey is GUJMCWFFJZDIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-5-10-6-9(2)11(8-15-10)13-7-12(14(18)19-4)16-17(13)3/h6-8H,5H2,1-4H3.
What are the key properties of methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate?
methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 118192267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).