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

C13H15N5O2 — CID 122053457

IUPAC5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(c3cn[nH]c3)CC2)cn1
InChIInChI=1S/C13H15N5O2/c19-13(20)11-7-15-12(8-14-11)18-3-1-9(2-4-18)10-5-16-17-6-10/h5-9H,1-4H2,(H,16,17)(H,19,20)
InChIKeyAVXFYJQILCYIRU-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.28
Rot. Bonds3

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

5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122053457) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122053457
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(c3cn[nH]c3)CC2)cn1
InChIInChI=1S/C13H15N5O2/c19-13(20)11-7-15-12(8-14-11)18-3-1-9(2-4-18)10-5-16-17-6-10/h5-9H,1-4H2,(H,16,17)(H,19,20)
InChIKeyAVXFYJQILCYIRU-UHFFFAOYSA-N
XLogP1.28
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
5-[4-(4-methylphenoxy)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053856
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057491
N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136528477
5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 166401696
5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122050962
5-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 122057108
5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054244
5-[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053569
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122053457) is 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(c3cn[nH]c3)CC2)cn1.
What is the InChIKey of 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is AVXFYJQILCYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13(20)11-7-15-12(8-14-11)18-3-1-9(2-4-18)10-5-16-17-6-10/h5-9H,1-4H2,(H,16,17)(H,19,20).
What are the key properties of 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).