2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate

C12H14N4O2 — CID 54961483

IUPAC2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCCn1cccn1
InChIInChI=1S/C12H14N4O2/c1-9-11(7-10(13)8-14-9)12(17)18-6-5-16-4-2-3-15-16/h2-4,7-8H,5-6,13H2,1H3
InChIKeyZCXXLGAGLKCQPU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.03
Rot. Bonds4

About 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate

2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 54961483) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate
PubChem CID54961483
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCCn1cccn1
InChIInChI=1S/C12H14N4O2/c1-9-11(7-10(13)8-14-9)12(17)18-6-5-16-4-2-3-15-16/h2-4,7-8H,5-6,13H2,1H3
InChIKeyZCXXLGAGLKCQPU-UHFFFAOYSA-N
XLogP1.03
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 112651177
2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate
CID 61494765
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 75418170
ethyl 4-amino-2-(2-pyrazol-1-ylethylsulfanyl)pyrimidine-5-carboxylate
CID 47502464
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate
CID 61490232
2-pyrazol-1-ylethyl 3-amino-4-chlorobenzoate
CID 47487654
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327
2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate
CID 61494607
2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate
CID 61495027
thiophen-3-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323017

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate (CID 54961483) is 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate is Cc1ncc(N)cc1C(=O)OCCn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is ZCXXLGAGLKCQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-11(7-10(13)8-14-9)12(17)18-6-5-16-4-2-3-15-16/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate?
2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 54961483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).