pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C13H16N4O2 — CID 61321044

IUPACpyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCc2ccccn2)c(C)c1N
InChIInChI=1S/C13H16N4O2/c1-9-13(14)10(2)17(16-9)7-12(18)19-8-11-5-3-4-6-15-11/h3-6H,7-8,14H2,1-2H3
InChIKeyNZJQEFBRJGOHMO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.22
Rot. Bonds4

About pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 61321044) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID61321044
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namepyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCc2ccccn2)c(C)c1N
InChIInChI=1S/C13H16N4O2/c1-9-13(14)10(2)17(16-9)7-12(18)19-8-11-5-3-4-6-15-11/h3-6H,7-8,14H2,1-2H3
InChIKeyNZJQEFBRJGOHMO-UHFFFAOYSA-N
XLogP1.22
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Pyrazole-1-acetic acid, 3-(2-pyridinyl)-, ethyl ester
CID 11729213
[(1S)-1-pyridin-2-ylethyl] 1-pentan-3-ylpyrazole-3-carboxylate
CID 97096050
5-(3-Trifluoromethyl-pyrazol-1-yl)-pyridine-2-carboxylic acid methyl ester
CID 57496595
Methyl 5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyridine-2-carboxylate
CID 138694963
5-Fluoro-2-(methoxymethyl)-4-(triazol-2-yl)pyridine
CID 169574555
3-Fluoro-2-(methoxymethyl)-4-(triazol-2-yl)pyridine
CID 169575249
Ethyl 5-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate
CID 175599774
Ethyl 4-[(4-aminopyrazol-1-yl)methyl]-3-fluoropyridine-2-carboxylate
CID 175973961
(5-Fluoro-3-pyridinyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 105571316
Ethyl 4-amino-1-(3-fluoro-4-pyridinyl)pyrazole-3-carboxylate
CID 107346843
(5-Fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 114084635
(4-Chloro-2-pyridinyl)methyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 126813658

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 61321044) is pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is Cc1nn(CC(=O)OCc2ccccn2)c(C)c1N.
What is the InChIKey of pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is NZJQEFBRJGOHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-13(14)10(2)17(16-9)7-12(18)19-8-11-5-3-4-6-15-11/h3-6H,7-8,14H2,1-2H3.
What are the key properties of pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 260.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61321044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).