2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine

C12H9ClN4 — CID 82270961

IUPAC2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2cc(-c3cccc(Cl)c3)nn2c1
InChIInChI=1S/C12H9ClN4/c13-9-3-1-2-8(4-9)11-5-12-15-6-10(14)7-17(12)16-11/h1-7H,14H2
InChIKeyPZOHMZMPNIEBOU-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.63
Rot. Bonds1

About 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine

2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 82270961) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID82270961
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2cc(-c3cccc(Cl)c3)nn2c1
InChIInChI=1S/C12H9ClN4/c13-9-3-1-2-8(4-9)11-5-12-15-6-10(14)7-17(12)16-11/h1-7H,14H2
InChIKeyPZOHMZMPNIEBOU-UHFFFAOYSA-N
XLogP2.63
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 84690404
2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16641334
2-phenylpyrazolo[1,5-a]pyrimidin-6-ol
CID 117246778
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
CID 43542636
4-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53331265
3-(3-chlorophenyl)-1-pyrazin-2-ylpyrazol-5-amine
CID 81043369
6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726825
1-tert-butyl-3-(3-chlorophenyl)pyrazol-5-amine
CID 43381448
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371025
3-(3-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-5-amine
CID 61271897
6-(3-chlorophenyl)pyridin-2-amine
CID 61230327
2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 163798613

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine (CID 82270961) is 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine is Nc1cnc2cc(-c3cccc(Cl)c3)nn2c1.
What is the InChIKey of 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is PZOHMZMPNIEBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-9-3-1-2-8(4-9)11-5-12-15-6-10(14)7-17(12)16-11/h1-7H,14H2.
What are the key properties of 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine?
2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 244.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 82270961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).