(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate

C12H14N4O2 — CID 81315729

IUPAC(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate
SMILESCCn1cc(COC(=O)c2ccc(N)cn2)cn1
InChIInChI=1S/C12H14N4O2/c1-2-16-7-9(5-15-16)8-18-12(17)11-4-3-10(13)6-14-11/h3-7H,2,8,13H2,1H3
InChIKeyKGEFGJAWMGDXHX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.24
Rot. Bonds4

About (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate

(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate (PubChem CID 81315729) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate
PubChem CID81315729
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate
SMILESCCn1cc(COC(=O)c2ccc(N)cn2)cn1
InChIInChI=1S/C12H14N4O2/c1-2-16-7-9(5-15-16)8-18-12(17)11-4-3-10(13)6-14-11/h3-7H,2,8,13H2,1H3
InChIKeyKGEFGJAWMGDXHX-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylpyrazol-4-yl)methyl 5-amino-2-chlorobenzoate
CID 62127530
(1-ethylpyrazol-4-yl)methyl 4-amino-2-fluorobenzoate
CID 62127871
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
(1-ethylpyrazol-4-yl)methyl 5-amino-2,3-dichlorobenzoate
CID 107199246
1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 116540975
(1-ethylpyrazol-4-yl)methyl 3-amino-4-chlorobenzoate
CID 62127696
(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 62127870
(1-ethylpyrazol-4-yl)methyl 3-amino-5-bromo-2-methylbenzoate
CID 107873653
butyl 5-aminopyridine-2-carboxylate
CID 81315833
(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl 5-aminopyridine-2-carboxylate
CID 81315976
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
CID 81315987

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate?
The IUPAC name of (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate (CID 81315729) is (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate is CCn1cc(COC(=O)c2ccc(N)cn2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate?
The InChIKey is KGEFGJAWMGDXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-16-7-9(5-15-16)8-18-12(17)11-4-3-10(13)6-14-11/h3-7H,2,8,13H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate?
(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81315729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).