methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate

C13H16N4O2 — CID 114090515

IUPACmethyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-n2nc(C)c(C)c2C)ncc1N
InChIInChI=1S/C13H16N4O2/c1-7-8(2)16-17(9(7)3)12-5-10(13(18)19-4)11(14)6-15-12/h5-6H,14H2,1-4H3
InChIKeyAABWALPTYOZJCN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.56
Rot. Bonds2

About methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate

methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate (PubChem CID 114090515) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate
PubChem CID114090515
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-n2nc(C)c(C)c2C)ncc1N
InChIInChI=1S/C13H16N4O2/c1-7-8(2)16-17(9(7)3)12-5-10(13(18)19-4)11(14)6-15-12/h5-6H,14H2,1-4H3
InChIKeyAABWALPTYOZJCN-UHFFFAOYSA-N
XLogP1.56
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311141
methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
CID 114090049
methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate
CID 114090571
methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate
CID 114090414
ethyl 2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311326
methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate
CID 114090703
methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate
CID 114090864
methyl 3-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 50888948
2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoic acid
CID 61237756
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine
CID 79176068
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate (CID 114090515) is methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate is COC(=O)c1cc(-n2nc(C)c(C)c2C)ncc1N.
What is the InChIKey of methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate?
The InChIKey is AABWALPTYOZJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-8(2)16-17(9(7)3)12-5-10(13(18)19-4)11(14)6-15-12/h5-6H,14H2,1-4H3.
What are the key properties of methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate?
methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 114090515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).