(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate

C13H15BrN4O2 — CID 81315976

IUPAC(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate
SMILESCCn1nc(C)c(Br)c1COC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H15BrN4O2/c1-3-18-11(12(14)8(2)17-18)7-20-13(19)10-5-4-9(15)6-16-10/h4-6H,3,7,15H2,1-2H3
InChIKeyGOFRIOLWFRHSKD-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.31
Rot. Bonds4

About (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate

(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate (PubChem CID 81315976) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate
PubChem CID81315976
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate
SMILESCCn1nc(C)c(Br)c1COC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H15BrN4O2/c1-3-18-11(12(14)8(2)17-18)7-20-13(19)10-5-4-9(15)6-16-10/h4-6H,3,7,15H2,1-2H3
InChIKeyGOFRIOLWFRHSKD-UHFFFAOYSA-N
XLogP2.31
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate
CID 81315729
1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-2-one
CID 115495376
(3-bromo-4-fluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 81316508
butyl 5-aminopyridine-2-carboxylate
CID 81315833
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline
CID 103201314
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948
(3-bromo-5-fluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317390
(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 105407614
(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317382
(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
CID 103173752
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529670

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate?
The IUPAC name of (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate (CID 81315976) is (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate is CCn1nc(C)c(Br)c1COC(=O)c1ccc(N)cn1.
What is the InChIKey of (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate?
The InChIKey is GOFRIOLWFRHSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-3-18-11(12(14)8(2)17-18)7-20-13(19)10-5-4-9(15)6-16-10/h4-6H,3,7,15H2,1-2H3.
What are the key properties of (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate?
(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate has a molecular weight of 339.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81315976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).