3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H14BrClN4O2S — CID 10435170

IUPAC3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H14BrClN4O2S/c1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19/h2-11,23H,1H3
InChIKeyTUGJJKKQXXMMGU-UHFFFAOYSA-N
MW477.77 g/mol
LogP4.96
Rot. Bonds4

About 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10435170) has the molecular formula C19H14BrClN4O2S and a molecular weight of 477.77 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10435170
Molecular FormulaC19H14BrClN4O2S
Molecular Weight477.77 g/mol
Exact Mass475.97
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H14BrClN4O2S/c1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19/h2-11,23H,1H3
InChIKeyTUGJJKKQXXMMGU-UHFFFAOYSA-N
XLogP4.96
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.77
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-({5-[(4-aminocyclohexyl)amino]-3-bromopyrazolo[1,5-a]pyrimidin-7-yl}amino)-2-chloro-N,N-dimethylbenzene-1-sulfonamide
CID 23645574
(5-Chloropyrazolo(1,5-a)Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine
CID 5287989
5-chloro-N-(4-methanesulfonylphenyl)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 23645575
3-bromo-5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9909749
3-bromo-5-(2-chlorophenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21066960
3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21066962
(4-Methanesulfonyl-phenyl)-[8-(4-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-amine
CID 57514092
N-(2-methyl-4-pyridinyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186216
6-(Benzenesulfonyl)-2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 1214627
Cdk2-IN-11
CID 162395828
3-bromo-5-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10364494
6-(4-Chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2819001

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 10435170) is 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TUGJJKKQXXMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN4O2S/c1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19/h2-11,23H,1H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 477.77 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10435170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).