methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate

C13H16N4O3 — CID 116802609

IUPACmethyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2cnn(C(C)C)c2)c1N
InChIInChI=1S/C13H16N4O3/c1-8(2)17-7-9(6-16-17)20-12-11(14)10(4-5-15-12)13(18)19-3/h4-8H,14H2,1-3H3
InChIKeyDKBOAOOETFBKSM-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.02
Rot. Bonds4

About methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate

methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate (PubChem CID 116802609) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
PubChem CID116802609
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2cnn(C(C)C)c2)c1N
InChIInChI=1S/C13H16N4O3/c1-8(2)17-7-9(6-16-17)20-12-11(14)10(4-5-15-12)13(18)19-3/h4-8H,14H2,1-3H3
InChIKeyDKBOAOOETFBKSM-UHFFFAOYSA-N
XLogP2.02
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 105380111
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
[5-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806942
methyl 3-amino-2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylate
CID 81346232
4-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboximidamide
CID 116801560
6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116804006
5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352
ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
methyl 1-propan-2-ylpyrazole-4-carboxylate
CID 55291716

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate (CID 116802609) is methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate is COC(=O)c1ccnc(Oc2cnn(C(C)C)c2)c1N.
What is the InChIKey of methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate?
The InChIKey is DKBOAOOETFBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(2)17-7-9(6-16-17)20-12-11(14)10(4-5-15-12)13(18)19-3/h4-8H,14H2,1-3H3.
What are the key properties of methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate?
methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate is sourced from PubChem (CID 116802609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).