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

C19H14ClF3N4O2S — CID 135463468

IUPAC7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(S(=O)(=O)c2ccccn2)C(c2ccc(Cl)cc2)n2nc(C(F)(F)F)cc2N1
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/h2-10,17,25H,1H3
InChIKeyGLYONAPECPYEGI-UHFFFAOYSA-N
MW454.86 g/mol
LogP4.67
Rot. Bonds3

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

7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135463468) 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)-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135463468
Molecular FormulaC19H14ClF3N4O2S
Molecular Weight454.86 g/mol
Exact Mass454.05
IUPAC Name7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(S(=O)(=O)c2ccccn2)C(c2ccc(Cl)cc2)n2nc(C(F)(F)F)cc2N1
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/h2-10,17,25H,1H3
InChIKeyGLYONAPECPYEGI-UHFFFAOYSA-N
XLogP4.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135463468) is 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=C(S(=O)(=O)c2ccccn2)C(c2ccc(Cl)cc2)n2nc(C(F)(F)F)cc2N1.
What is the InChIKey of 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is GLYONAPECPYEGI-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/h2-10,17,25H,1H3.
What are the key properties of 7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 454.86 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 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)-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135463468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).