1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid

C13H15N5O2 — CID 146134490

IUPAC1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C13H15N5O2/c19-13(20)10-2-6-17(7-3-10)11-8-14-9-12(16-11)18-5-1-4-15-18/h1,4-5,8-10H,2-3,6-7H2,(H,19,20)
InChIKeyHCCXKYYWQQIFBO-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.96
Rot. Bonds3

About 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid

1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid (PubChem CID 146134490) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
PubChem CID146134490
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C13H15N5O2/c19-13(20)10-2-6-17(7-3-10)11-8-14-9-12(16-11)18-5-1-4-15-18/h1,4-5,8-10H,2-3,6-7H2,(H,19,20)
InChIKeyHCCXKYYWQQIFBO-UHFFFAOYSA-N
XLogP0.96
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid
CID 166288937
1-[1-(6-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948107
1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 119349450
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
CID 55922538
1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90514137
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891335
2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine
CID 126894070
3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 171780244
3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol
CID 84584722
1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 52907567
N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514093
N,N-diethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
CID 133469122

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid (CID 146134490) is 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cncc(-n3cccn3)n2)CC1.
What is the InChIKey of 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is HCCXKYYWQQIFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13(20)10-2-6-17(7-3-10)11-8-14-9-12(16-11)18-5-1-4-15-18/h1,4-5,8-10H,2-3,6-7H2,(H,19,20).
What are the key properties of 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid?
1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 146134490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).