methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate

C12H14N4O2 — CID 58775787

IUPACmethyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1cnn(-c2ccc(N)cn2)c1
InChIInChI=1S/C12H14N4O2/c1-18-12(17)5-2-9-6-15-16(8-9)11-4-3-10(13)7-14-11/h3-4,6-8H,2,5,13H2,1H3
InChIKeyTVPZJLUUHPVQLA-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.96
Rot. Bonds4

About methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate

methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate (PubChem CID 58775787) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate
PubChem CID58775787
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1cnn(-c2ccc(N)cn2)c1
InChIInChI=1S/C12H14N4O2/c1-18-12(17)5-2-9-6-15-16(8-9)11-4-3-10(13)7-14-11/h3-4,6-8H,2,5,13H2,1H3
InChIKeyTVPZJLUUHPVQLA-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate?
The IUPAC name of methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate (CID 58775787) is methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate is COC(=O)CCc1cnn(-c2ccc(N)cn2)c1.
What is the InChIKey of methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate?
The InChIKey is TVPZJLUUHPVQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12(17)5-2-9-6-15-16(8-9)11-4-3-10(13)7-14-11/h3-4,6-8H,2,5,13H2,1H3.
What are the key properties of methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate?
methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate has a molecular weight of 246.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate is sourced from PubChem (CID 58775787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).