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

C16H19N5O4 — CID 122057831

IUPAC5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCCOC(=O)c1cnn(C2CCN(c3cnc(C(=O)O)cn3)CC2)c1
InChIInChI=1S/C16H19N5O4/c1-2-25-16(24)11-7-19-21(10-11)12-3-5-20(6-4-12)14-9-17-13(8-18-14)15(22)23/h7-10,12H,2-6H2,1H3,(H,22,23)
InChIKeyOZMJWIIGVXLSFN-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.39
Rot. Bonds5

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

5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122057831) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122057831
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCCOC(=O)c1cnn(C2CCN(c3cnc(C(=O)O)cn3)CC2)c1
InChIInChI=1S/C16H19N5O4/c1-2-25-16(24)11-7-19-21(10-11)12-3-5-20(6-4-12)14-9-17-13(8-18-14)15(22)23/h7-10,12H,2-6H2,1H3,(H,22,23)
InChIKeyOZMJWIIGVXLSFN-UHFFFAOYSA-N
XLogP1.39
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[1-(3-oxocyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carboxylate
CID 122151817
ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
CID 133277944
5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 166401696
ethyl 1-[4-(3-ethoxy-3-oxopropanoyl)cyclohexyl]pyrazole-4-carboxylate
CID 146344402
ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109275343
5-[4-(4-methylphenoxy)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053856
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
5-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054778
1-[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 167872383
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]methyl]pyrazole-4-carboxylate
CID 129078754
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122057831) is 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is CCOC(=O)c1cnn(C2CCN(c3cnc(C(=O)O)cn3)CC2)c1.
What is the InChIKey of 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is OZMJWIIGVXLSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-2-25-16(24)11-7-19-21(10-11)12-3-5-20(6-4-12)14-9-17-13(8-18-14)15(22)23/h7-10,12H,2-6H2,1H3,(H,22,23).
What are the key properties of 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).