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

C19H19Cl2F3N4O3S — CID 90980216

IUPAC7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-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)C(C)C
InChIInChI=1S/C19H19Cl2F3N4O3S/c1-9(2)32(30,31)27(4)18(29)16-10(3)25-15-8-14(19(22,23)24)26-28(15)17(16)11-5-6-12(20)13(21)7-11/h5-9,16-17H,1-4H3
InChIKeyPYQZZQMKPQMDKK-UHFFFAOYSA-N
MW511.35 g/mol
LogP4.72
Rot. Bonds4

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

7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90980216) has the molecular formula C19H19Cl2F3N4O3S and a molecular weight of 511.35 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90980216
Molecular FormulaC19H19Cl2F3N4O3S
Molecular Weight511.35 g/mol
Exact Mass510.05
IUPAC Name7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-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)C(C)C
InChIInChI=1S/C19H19Cl2F3N4O3S/c1-9(2)32(30,31)27(4)18(29)16-10(3)25-15-8-14(19(22,23)24)26-28(15)17(16)11-5-6-12(20)13(21)7-11/h5-9,16-17H,1-4H3
InChIKeyPYQZZQMKPQMDKK-UHFFFAOYSA-N
XLogP4.72
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.35
LogP ≤ 54.72
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,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 90980216) is 7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-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)C(C)C.
What is the InChIKey of 7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is PYQZZQMKPQMDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N4O3S/c1-9(2)32(30,31)27(4)18(29)16-10(3)25-15-8-14(19(22,23)24)26-28(15)17(16)11-5-6-12(20)13(21)7-11/h5-9,16-17H,1-4H3.
What are the key properties of 7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 511.35 g/mol, XLogP of 4.72, 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,5-dimethyl-N-propan-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90980216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).