4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine

C12H9N5 — CID 169409381

IUPAC4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nccc(-n3cccn3)n2)nc1
InChIInChI=1S/C12H9N5/c1-2-6-13-10(4-1)12-14-8-5-11(16-12)17-9-3-7-15-17/h1-9H
InChIKeyYFIZGWQCCOINCD-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.72
Rot. Bonds2

About 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine

4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine (PubChem CID 169409381) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
PubChem CID169409381
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nccc(-n3cccn3)n2)nc1
InChIInChI=1S/C12H9N5/c1-2-6-13-10(4-1)12-14-8-5-11(16-12)17-9-3-7-15-17/h1-9H
InChIKeyYFIZGWQCCOINCD-UHFFFAOYSA-N
XLogP1.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-di(pyrazol-1-yl)pyridine;2,6-dipyridin-2-ylpyridine;ethane;methane;bis(prop-1-yne)
CID 158188771
4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
CID 67958989
2-pyrazol-1-yl-6-pyridin-2-yloxypyridine
CID 91616296
cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
CID 139150015
CID 139150015
(1S,4S)-5-(2-pyridin-2-ylpyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 141429230
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
4-phenyl-2,6-di(pyrazol-1-yl)pyridine
CID 123601747
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine (CID 169409381) is 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine is c1ccc(-c2nccc(-n3cccn3)n2)nc1.
What is the InChIKey of 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine?
The InChIKey is YFIZGWQCCOINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-2-6-13-10(4-1)12-14-8-5-11(16-12)17-9-3-7-15-17/h1-9H.
What are the key properties of 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine?
4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine has a molecular weight of 223.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 169409381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).