7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine

C19H19Cl2F3N4O2S — CID 90810036

IUPAC7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H19Cl2F3N4O2S/c1-11-18(31(29,30)27-7-3-2-4-8-27)17(12-5-6-13(20)14(21)9-12)28-16(25-11)10-15(26-28)19(22,23)24/h5-6,9-10,17-18H,2-4,7-8H2,1H3
InChIKeyVNCDBJAWRPKMCQ-UHFFFAOYSA-N
MW495.35 g/mol
LogP5.09
Rot. Bonds3

About 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 90810036) has the molecular formula C19H19Cl2F3N4O2S and a molecular weight of 495.35 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID90810036
Molecular FormulaC19H19Cl2F3N4O2S
Molecular Weight495.35 g/mol
Exact Mass494.06
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H19Cl2F3N4O2S/c1-11-18(31(29,30)27-7-3-2-4-8-27)17(12-5-6-13(20)14(21)9-12)28-16(25-11)10-15(26-28)19(22,23)24/h5-6,9-10,17-18H,2-4,7-8H2,1H3
InChIKeyVNCDBJAWRPKMCQ-UHFFFAOYSA-N
XLogP5.09
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-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-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 90810036) is 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is VNCDBJAWRPKMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N4O2S/c1-11-18(31(29,30)27-7-3-2-4-8-27)17(12-5-6-13(20)14(21)9-12)28-16(25-11)10-15(26-28)19(22,23)24/h5-6,9-10,17-18H,2-4,7-8H2,1H3.
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 495.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90810036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).