6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

C24H20ClF3N4O2S — CID 68915861

IUPAC6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H20ClF3N4O2S/c1-15-22(35(33,34)31-12-4-5-13-31)23-29-14-19(18-6-2-3-7-20(18)25)21(32(23)30-15)16-8-10-17(11-9-16)24(26,27)28/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKeyONNSQJJFCAHVLA-UHFFFAOYSA-N
MW520.96 g/mol
LogP5.83
Rot. Bonds4

About 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 68915861) has the molecular formula C24H20ClF3N4O2S and a molecular weight of 520.96 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID68915861
Molecular FormulaC24H20ClF3N4O2S
Molecular Weight520.96 g/mol
Exact Mass520.09
IUPAC Name6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H20ClF3N4O2S/c1-15-22(35(33,34)31-12-4-5-13-31)23-29-14-19(18-6-2-3-7-20(18)25)21(32(23)30-15)16-8-10-17(11-9-16)24(26,27)28/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKeyONNSQJJFCAHVLA-UHFFFAOYSA-N
XLogP5.83
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.96
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 68915861) is 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1S(=O)(=O)N1CCCC1.
What is the InChIKey of 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is ONNSQJJFCAHVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O2S/c1-15-22(35(33,34)31-12-4-5-13-31)23-29-14-19(18-6-2-3-7-20(18)25)21(32(23)30-15)16-8-10-17(11-9-16)24(26,27)28/h2-3,6-11,14H,4-5,12-13H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 520.96 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68915861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).