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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
CID 44629555
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-[6-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329454
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753

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).