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

C18H18ClF3N4O2S — CID 90927213

IUPAC7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H18ClF3N4O2S/c1-11-17(29(27,28)25-8-2-3-9-25)16(12-4-6-13(19)7-5-12)26-15(23-11)10-14(24-26)18(20,21)22/h4-7,10,16-17H,2-3,8-9H2,1H3
InChIKeyCNQMUDFORXQQLC-UHFFFAOYSA-N
MW446.88 g/mol
LogP4.04
Rot. Bonds3

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

7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 90927213) has the molecular formula C18H18ClF3N4O2S and a molecular weight of 446.88 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID90927213
Molecular FormulaC18H18ClF3N4O2S
Molecular Weight446.88 g/mol
Exact Mass446.08
IUPAC Name7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H18ClF3N4O2S/c1-11-17(29(27,28)25-8-2-3-9-25)16(12-4-6-13(19)7-5-12)26-15(23-11)10-14(24-26)18(20,21)22/h4-7,10,16-17H,2-3,8-9H2,1H3
InChIKeyCNQMUDFORXQQLC-UHFFFAOYSA-N
XLogP4.04
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-Amino-3-(4-chlorophenyl)pyrazolyl]thiolane-1,1-dione
CID 43336877
N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide
CID 67646060
N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 67646473
7-(4-Chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90698365
N-butylsulfonyl-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90718997
7-(3,4-Dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90810036
7-(4-Chlorophenyl)-5-methyl-6-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90814205
4-[[7-(3,4-Dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine
CID 90894627
6-(4-Chlorophenyl)sulfonyl-5-methyl-7-(4-methylphenyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90912596
6-Benzylsulfonyl-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90921664
7-(3,4-dichlorophenyl)-N,5-dimethyl-N-propylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90925336
N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-sulfonamide
CID 90977321

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 90927213) is 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)N1CCCC1.
What is the InChIKey of 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is CNQMUDFORXQQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O2S/c1-11-17(29(27,28)25-8-2-3-9-25)16(12-4-6-13(19)7-5-12)26-15(23-11)10-14(24-26)18(20,21)22/h4-7,10,16-17H,2-3,8-9H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 446.88 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90927213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).