3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C17H17ClN4O — CID 66598156

IUPAC3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1
InChIInChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,20,21)
InChIKeyYRWKXHJILLPSCF-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.64
Rot. Bonds3

About 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 66598156) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID66598156
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1
InChIInChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,20,21)
InChIKeyYRWKXHJILLPSCF-UHFFFAOYSA-N
XLogP3.64
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine 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

3-(3-chlorophenyl)-N-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 6419807
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
Trk-IN-21
CID 164886651
6-(3-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1485558
3-(4-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1835852
4-[5-Tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 1851774
3-(2-Chlorophenyl)-5-methyl-7-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 4910004
6-(4-Chlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 7708945

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 66598156) is 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is Clc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is YRWKXHJILLPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 328.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 66598156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).