3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid

C13H12N4O2 — CID 171780244

IUPAC3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(O)C12CC(c3cncc(-n4cccn4)n3)(C1)C2
InChIInChI=1S/C13H12N4O2/c18-11(19)13-6-12(7-13,8-13)9-4-14-5-10(16-9)17-3-1-2-15-17/h1-5H,6-8H2,(H,18,19)
InChIKeyVBXMNYOSVVZLEA-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.17
Rot. Bonds3

About 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid

3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 171780244) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID171780244
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(O)C12CC(c3cncc(-n4cccn4)n3)(C1)C2
InChIInChI=1S/C13H12N4O2/c18-11(19)13-6-12(7-13,8-13)9-4-14-5-10(16-9)17-3-1-2-15-17/h1-5H,6-8H2,(H,18,19)
InChIKeyVBXMNYOSVVZLEA-UHFFFAOYSA-N
XLogP1.17
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 146134490
3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
CID 163342206
3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid
CID 166288937
4-methyl-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]pentanoic acid
CID 122062606
(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789
N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide
CID 47054790
1-[1-(6-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948107
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
CID 55922538
N-[2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 51086656
2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid
CID 130847763
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
CID 58972849

Frequently Asked Questions

What is the IUPAC name of 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid (CID 171780244) is 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid is O=C(O)C12CC(c3cncc(-n4cccn4)n3)(C1)C2.
What is the InChIKey of 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is VBXMNYOSVVZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-11(19)13-6-12(7-13,8-13)9-4-14-5-10(16-9)17-3-1-2-15-17/h1-5H,6-8H2,(H,18,19).
What are the key properties of 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid?
3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 171780244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).