7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H16Cl2F4N4O3S — CID 91194919

IUPAC7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H16Cl2F4N4O3S/c1-11-19(21(33)31(2)36(34,35)14-6-4-13(25)5-7-14)20(12-3-8-15(23)16(24)9-12)32-18(29-11)10-17(30-32)22(26,27)28/h3-10,19-20H,1-2H3
InChIKeyYSAGLBFTZFSPHT-UHFFFAOYSA-N
MW563.36 g/mol
LogP5.51
Rot. Bonds4

About 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 91194919) has the molecular formula C22H16Cl2F4N4O3S and a molecular weight of 563.36 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID91194919
Molecular FormulaC22H16Cl2F4N4O3S
Molecular Weight563.36 g/mol
Exact Mass562.03
IUPAC Name7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H16Cl2F4N4O3S/c1-11-19(21(33)31(2)36(34,35)14-6-4-13(25)5-7-14)20(12-3-8-15(23)16(24)9-12)32-18(29-11)10-17(30-32)22(26,27)28/h3-10,19-20H,1-2H3
InChIKeyYSAGLBFTZFSPHT-UHFFFAOYSA-N
XLogP5.51
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.36
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 91194919) is 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YSAGLBFTZFSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2F4N4O3S/c1-11-19(21(33)31(2)36(34,35)14-6-4-13(25)5-7-14)20(12-3-8-15(23)16(24)9-12)32-18(29-11)10-17(30-32)22(26,27)28/h3-10,19-20H,1-2H3.
What are the key properties of 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 563.36 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-N-(4-fluorophenyl)sulfonyl-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 91194919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).