2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C20H17ClN4O — CID 46948372

IUPAC2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClc1cccc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)c1
InChIInChI=1S/C20H17ClN4O/c21-16-6-4-5-15(13-16)18-14-20-23-19(9-11-25(20)24-18)22-10-12-26-17-7-2-1-3-8-17/h1-9,11,13-14H,10,12H2,(H,22,23)
InChIKeyVERSSAVKMSKEJU-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.54
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46948372) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46948372
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClc1cccc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)c1
InChIInChI=1S/C20H17ClN4O/c21-16-6-4-5-15(13-16)18-14-20-23-19(9-11-25(20)24-18)22-10-12-26-17-7-2-1-3-8-17/h1-9,11,13-14H,10,12H2,(H,22,23)
InChIKeyVERSSAVKMSKEJU-UHFFFAOYSA-N
XLogP4.54
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dorsomorphin
CID 11524144
Taletrectinib
CID 72202474
3-((3-Chlorophenoxy)methyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 53472153
6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine
CID 135567262
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
N-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327841
Methyl substituted pyrazole, 28
CID 23648676
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
3-[6-[(3-Chlorophenyl)methoxy]-2-naphthyl]-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53344796
CM-Tpmf
CID 3780244
4-(6-(4-(2-Morpholinoethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 52945753
3-[6-[(3-Chlorophenyl)methoxy]naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70697143

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 46948372) is 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine is Clc1cccc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is VERSSAVKMSKEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-16-6-4-5-15(13-16)18-14-20-23-19(9-11-25(20)24-18)22-10-12-26-17-7-2-1-3-8-17/h1-9,11,13-14H,10,12H2,(H,22,23).
What are the key properties of 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 364.84 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46948372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).