4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine

C18H17Cl2F3N4O3S — CID 135463476

IUPAC4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine
SMILESCC1=C(S(=O)(=O)N2CCOCC2)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
InChIInChI=1S/C18H17Cl2F3N4O3S/c1-10-17(31(28,29)26-4-6-30-7-5-26)16(11-2-3-12(19)13(20)8-11)27-15(24-10)9-14(25-27)18(21,22)23/h2-3,8-9,16,24H,4-7H2,1H3
InChIKeyYDWNHRCBNZDAHF-UHFFFAOYSA-N
MW497.33 g/mol
LogP4.12
Rot. Bonds3

About 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine

4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine (PubChem CID 135463476) has the molecular formula C18H17Cl2F3N4O3S and a molecular weight of 497.33 g/mol. Its IUPAC name is 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine
PubChem CID135463476
Molecular FormulaC18H17Cl2F3N4O3S
Molecular Weight497.33 g/mol
Exact Mass496.04
IUPAC Name4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine
SMILESCC1=C(S(=O)(=O)N2CCOCC2)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
InChIInChI=1S/C18H17Cl2F3N4O3S/c1-10-17(31(28,29)26-4-6-30-7-5-26)16(11-2-3-12(19)13(20)8-11)27-15(24-10)9-14(25-27)18(21,22)23/h2-3,8-9,16,24H,4-7H2,1H3
InChIKeyYDWNHRCBNZDAHF-UHFFFAOYSA-N
XLogP4.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine (CID 135463476) is 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine is CC1=C(S(=O)(=O)N2CCOCC2)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1.
What is the InChIKey of 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine?
The InChIKey is YDWNHRCBNZDAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N4O3S/c1-10-17(31(28,29)26-4-6-30-7-5-26)16(11-2-3-12(19)13(20)8-11)27-15(24-10)9-14(25-27)18(21,22)23/h2-3,8-9,16,24H,4-7H2,1H3.
What are the key properties of 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine?
4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine has a molecular weight of 497.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine is sourced from PubChem (CID 135463476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).