2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine

C16H10ClN3 — CID 141372111

IUPAC2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2cc3ncccn3n2)c2ccccc12
InChIInChI=1S/C16H10ClN3/c17-14-7-6-13(11-4-1-2-5-12(11)14)15-10-16-18-8-3-9-20(16)19-15/h1-10H
InChIKeyOVLMEYXQSNHENJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.20
Rot. Bonds1

About 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine

2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 141372111) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID141372111
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2cc3ncccn3n2)c2ccccc12
InChIInChI=1S/C16H10ClN3/c17-14-7-6-13(11-4-1-2-5-12(11)14)15-10-16-18-8-3-9-20(16)19-15/h1-10H
InChIKeyOVLMEYXQSNHENJ-UHFFFAOYSA-N
XLogP4.20
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 141372089
2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 67115185
2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidine
CID 175830982
3-pyrazolo[1,5-a]pyrimidin-2-ylphenol
CID 84678293
2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide
CID 91426736
2-(chloromethyl)pyrazolo[1,5-a]pyrimidine
CID 177037007
2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 59747998
2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 91408031
2-ethenylpyrazolo[1,5-a]pyrimidine
CID 19807212
6-pyridin-2-ylimidazo[1,2-b]pyridazine
CID 116854315
8-chloro-9-fluoropyrimido[1,2-a]indole
CID 141445298
5-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-2-yl-4-pyridinyl)-1,2,4-oxadiazole
CID 159940616

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine (CID 141372111) is 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine is Clc1ccc(-c2cc3ncccn3n2)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OVLMEYXQSNHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-14-7-6-13(11-4-1-2-5-12(11)14)15-10-16-18-8-3-9-20(16)19-15/h1-10H.
What are the key properties of 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine?
2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 279.73 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141372111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).