7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C13H6Cl2F3N3 — CID 82274740

IUPAC7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2ncc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C13H6Cl2F3N3/c14-9-4-2-1-3-7(9)8-6-19-21-11(15)5-10(13(16,17)18)20-12(8)21/h1-6H
InChIKeyWIAZQLKWBFXETO-UHFFFAOYSA-N
MW332.11 g/mol
LogP4.72
Rot. Bonds1

About 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82274740) has the molecular formula C13H6Cl2F3N3 and a molecular weight of 332.11 g/mol. Its IUPAC name is 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82274740
Molecular FormulaC13H6Cl2F3N3
Molecular Weight332.11 g/mol
Exact Mass330.99
IUPAC Name7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2ncc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C13H6Cl2F3N3/c14-9-4-2-1-3-7(9)8-6-19-21-11(15)5-10(13(16,17)18)20-12(8)21/h1-6H
InChIKeyWIAZQLKWBFXETO-UHFFFAOYSA-N
XLogP4.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.11
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 21066435
7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 104621729
5,7-dichloro-3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 82274342
7-(4-benzylpiperazin-1-yl)-5-tert-butyl-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 4972048
2-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 2820993
5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 89389879
2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2780657
3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2780655
ethyl 5-amino-1-[5-tert-butyl-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazole-4-carboxylate
CID 4970032
5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 82274339
5-tert-butyl-7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 4894193
3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 170418247

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 82274740) is 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(Cl)n2ncc(-c3ccccc3Cl)c2n1.
What is the InChIKey of 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WIAZQLKWBFXETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3N3/c14-9-4-2-1-3-7(9)8-6-19-21-11(15)5-10(13(16,17)18)20-12(8)21/h1-6H.
What are the key properties of 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 332.11 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).