3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C17H11ClN4 — CID 5329463

IUPAC3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cccc(-c2cnn3cc(-c4ccncc4)cnc23)c1
InChIInChI=1S/C17H11ClN4/c18-15-3-1-2-13(8-15)16-10-21-22-11-14(9-20-17(16)22)12-4-6-19-7-5-12/h1-11H
InChIKeyAPMGZBKWHFSLMR-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.11
Rot. Bonds2

About 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329463) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329463
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cccc(-c2cnn3cc(-c4ccncc4)cnc23)c1
InChIInChI=1S/C17H11ClN4/c18-15-3-1-2-13(8-15)16-10-21-22-11-14(9-20-17(16)22)12-4-6-19-7-5-12/h1-11H
InChIKeyAPMGZBKWHFSLMR-UHFFFAOYSA-N
XLogP4.11
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 5329463) is 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Clc1cccc(-c2cnn3cc(-c4ccncc4)cnc23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is APMGZBKWHFSLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-15-3-1-2-13(8-15)16-10-21-22-11-14(9-20-17(16)22)12-4-6-19-7-5-12/h1-11H.
What are the key properties of 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 306.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).