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

C14H8BrClF3N3 — CID 82274775

IUPAC3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(Cl)cc(C(F)(F)F)nc2c1-c1cccc(Br)c1
InChIInChI=1S/C14H8BrClF3N3/c1-7-12(8-3-2-4-9(15)5-8)13-20-10(14(17,18)19)6-11(16)22(13)21-7/h2-6H,1H3
InChIKeyMZHHEZIXTHDYIN-UHFFFAOYSA-N
MW390.59 g/mol
LogP5.14
Rot. Bonds1

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

3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82274775) has the molecular formula C14H8BrClF3N3 and a molecular weight of 390.59 g/mol. Its IUPAC name is 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82274775
Molecular FormulaC14H8BrClF3N3
Molecular Weight390.59 g/mol
Exact Mass388.95
IUPAC Name3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(Cl)cc(C(F)(F)F)nc2c1-c1cccc(Br)c1
InChIInChI=1S/C14H8BrClF3N3/c1-7-12(8-3-2-4-9(15)5-8)13-20-10(14(17,18)19)6-11(16)22(13)21-7/h2-6H,1H3
InChIKeyMZHHEZIXTHDYIN-UHFFFAOYSA-N
XLogP5.14
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.59
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274773
3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274166
3-(3-bromophenyl)-2-methyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17174880
7-chloro-3-(3-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274295
5-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522146
3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2780655
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 45496355
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274361
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
2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2780657

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 82274775) is 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1nn2c(Cl)cc(C(F)(F)F)nc2c1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MZHHEZIXTHDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3N3/c1-7-12(8-3-2-4-9(15)5-8)13-20-10(14(17,18)19)6-11(16)22(13)21-7/h2-6H,1H3.
What are the key properties of 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 390.59 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).