5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid

C15H17N5O4 — CID 166401696

IUPAC5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCOC(=O)c1ccn(C2CCN(c3cnc(C(=O)O)cn3)CC2)n1
InChIInChI=1S/C15H17N5O4/c1-24-15(23)11-4-7-20(18-11)10-2-5-19(6-3-10)13-9-16-12(8-17-13)14(21)22/h4,7-10H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyCQZLETGFQZTJEC-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.00
Rot. Bonds4

About 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 166401696) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID166401696
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCOC(=O)c1ccn(C2CCN(c3cnc(C(=O)O)cn3)CC2)n1
InChIInChI=1S/C15H17N5O4/c1-24-15(23)11-4-7-20(18-11)10-2-5-19(6-3-10)13-9-16-12(8-17-13)14(21)22/h4,7-10H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyCQZLETGFQZTJEC-UHFFFAOYSA-N
XLogP1.00
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 166401696) is 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is COC(=O)c1ccn(C2CCN(c3cnc(C(=O)O)cn3)CC2)n1.
What is the InChIKey of 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is CQZLETGFQZTJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-24-15(23)11-4-7-20(18-11)10-2-5-19(6-3-10)13-9-16-12(8-17-13)14(21)22/h4,7-10H,2-3,5-6H2,1H3,(H,21,22).
What are the key properties of 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166401696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).