7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C20H15BrClN3 — CID 8707777

IUPAC7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccc(Br)cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H15BrClN3/c1-12-11-18(14-3-7-16(21)8-4-14)25-20(23-12)19(13(2)24-25)15-5-9-17(22)10-6-15/h3-11H,1-2H3
InChIKeyINXDOPXCXXSAJM-UHFFFAOYSA-N
MW412.72 g/mol
LogP6.10
Rot. Bonds2

About 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 8707777) has the molecular formula C20H15BrClN3 and a molecular weight of 412.72 g/mol. Its IUPAC name is 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID8707777
Molecular FormulaC20H15BrClN3
Molecular Weight412.72 g/mol
Exact Mass411.01
IUPAC Name7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccc(Br)cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H15BrClN3/c1-12-11-18(14-3-7-16(21)8-4-14)25-20(23-12)19(13(2)24-25)15-5-9-17(22)10-6-15/h3-11H,1-2H3
InChIKeyINXDOPXCXXSAJM-UHFFFAOYSA-N
XLogP6.10
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.72
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4639362
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4144297
ethyl 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877153
(E)-3-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-4-hydroxypent-3-en-2-one
CID 7695745
3-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4559446
(3S)-3-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylbutan-2-one
CID 2034096
2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 4144182
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 45496355

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 8707777) is 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(-c2ccc(Br)cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is INXDOPXCXXSAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN3/c1-12-11-18(14-3-7-16(21)8-4-14)25-20(23-12)19(13(2)24-25)15-5-9-17(22)10-6-15/h3-11H,1-2H3.
What are the key properties of 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 412.72 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 8707777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).