4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine

C18H13N5 — CID 67958989

IUPAC4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-n2cc(-c3ccnc(-c4ccccn4)n3)cn2)cc1
InChIInChI=1S/C18H13N5/c1-2-6-15(7-3-1)23-13-14(12-21-23)16-9-11-20-18(22-16)17-8-4-5-10-19-17/h1-13H
InChIKeyQZQXIORFJDSGOK-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.39
Rot. Bonds3

About 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine

4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 67958989) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
PubChem CID67958989
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-n2cc(-c3ccnc(-c4ccccn4)n3)cn2)cc1
InChIInChI=1S/C18H13N5/c1-2-6-15(7-3-1)23-13-14(12-21-23)16-9-11-20-18(22-16)17-8-4-5-10-19-17/h1-13H
InChIKeyQZQXIORFJDSGOK-UHFFFAOYSA-N
XLogP3.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-pyridin-2-ylphenyl)pyrazol-4-yl]pyridine
CID 11150679
4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
CID 169409381
2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine
CID 58336819
4-pyridin-2-yl-2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole
CID 58336755
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 46996131
4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 46992450
5-(4-pyridin-2-ylpyrazol-1-yl)pyridine-3-carbonitrile
CID 10125255
2-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403214
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
CID 31224515
4-(3,3-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)pyrimidine
CID 166313462
2-methoxy-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine
CID 10286006
2-methyl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 123917950

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine (CID 67958989) is 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine is c1ccc(-n2cc(-c3ccnc(-c4ccccn4)n3)cn2)cc1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is QZQXIORFJDSGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-6-15(7-3-1)23-13-14(12-21-23)16-9-11-20-18(22-16)17-8-4-5-10-19-17/h1-13H.
What are the key properties of 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine?
4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 299.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 67958989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).