7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine

C19H14ClF3N4O2S — CID 91483285

IUPAC7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccccn1
InChIInChI=1S/C19H14ClF3N4O2S/c1-11-18(30(28,29)16-4-2-3-9-24-16)17(12-5-7-13(20)8-6-12)27-15(25-11)10-14(26-27)19(21,22)23/h2-10,17-18H,1H3
InChIKeyYSLSVSLRWDKCQG-UHFFFAOYSA-N
MW454.86 g/mol
LogP4.49
Rot. Bonds3

About 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine

7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 91483285) has the molecular formula C19H14ClF3N4O2S and a molecular weight of 454.86 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID91483285
Molecular FormulaC19H14ClF3N4O2S
Molecular Weight454.86 g/mol
Exact Mass454.05
IUPAC Name7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccccn1
InChIInChI=1S/C19H14ClF3N4O2S/c1-11-18(30(28,29)16-4-2-3-9-24-16)17(12-5-7-13(20)8-6-12)27-15(25-11)10-14(26-27)19(21,22)23/h2-10,17-18H,1H3
InChIKeyYSLSVSLRWDKCQG-UHFFFAOYSA-N
XLogP4.49
TPSA77.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.86
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 91483285) is 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccccn1.
What is the InChIKey of 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YSLSVSLRWDKCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2S/c1-11-18(30(28,29)16-4-2-3-9-24-16)17(12-5-7-13(20)8-6-12)27-15(25-11)10-14(26-27)19(21,22)23/h2-10,17-18H,1H3.
What are the key properties of 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 454.86 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91483285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).