methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate

C13H16N4O3 — CID 107346297

IUPACmethyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ncccc2OC(C)C)cc1N
InChIInChI=1S/C13H16N4O3/c1-8(2)20-10-5-4-6-15-12(10)17-7-9(14)11(16-17)13(18)19-3/h4-8H,14H2,1-3H3
InChIKeyYLZITLGNFUGZDW-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.42
Rot. Bonds4

About methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate

methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate (PubChem CID 107346297) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate
PubChem CID107346297
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ncccc2OC(C)C)cc1N
InChIInChI=1S/C13H16N4O3/c1-8(2)20-10-5-4-6-15-12(10)17-7-9(14)11(16-17)13(18)19-3/h4-8H,14H2,1-3H3
InChIKeyYLZITLGNFUGZDW-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate (CID 107346297) is methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2ncccc2OC(C)C)cc1N.
What is the InChIKey of methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is YLZITLGNFUGZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(2)20-10-5-4-6-15-12(10)17-7-9(14)11(16-17)13(18)19-3/h4-8H,14H2,1-3H3.
What are the key properties of methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).