2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine

C19H24F2N6O2S — CID 110218904

IUPAC2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1c(S(=O)(=O)N2CCCC2c2ccnc3cc(C(C)(C)C)nn23)cnn1C(F)F
InChIInChI=1S/C19H24F2N6O2S/c1-12-15(11-23-26(12)18(20)21)30(28,29)25-9-5-6-13(25)14-7-8-22-17-10-16(19(2,3)4)24-27(14)17/h7-8,10-11,13,18H,5-6,9H2,1-4H3
InChIKeyTVUMLECWFGEDSF-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.45
Rot. Bonds4

About 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine

2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 110218904) has the molecular formula C19H24F2N6O2S and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID110218904
Molecular FormulaC19H24F2N6O2S
Molecular Weight438.50 g/mol
Exact Mass438.16
IUPAC Name2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1c(S(=O)(=O)N2CCCC2c2ccnc3cc(C(C)(C)C)nn23)cnn1C(F)F
InChIInChI=1S/C19H24F2N6O2S/c1-12-15(11-23-26(12)18(20)21)30(28,29)25-9-5-6-13(25)14-7-8-22-17-10-16(19(2,3)4)24-27(14)17/h7-8,10-11,13,18H,5-6,9H2,1-4H3
InChIKeyTVUMLECWFGEDSF-UHFFFAOYSA-N
XLogP3.45
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(difluoromethyl)-4-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51855636
1-(difluoromethyl)-4-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51856001
1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110218887
5-[(2R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95071141
7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92575438
5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole
CID 136561171
1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
CID 177135675
1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
CID 165460480
(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
CID 164637277
1-[7-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
CID 92631093
1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 50747098
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 110218904) is 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine is Cc1c(S(=O)(=O)N2CCCC2c2ccnc3cc(C(C)(C)C)nn23)cnn1C(F)F.
What is the InChIKey of 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is TVUMLECWFGEDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O2S/c1-12-15(11-23-26(12)18(20)21)30(28,29)25-9-5-6-13(25)14-7-8-22-17-10-16(19(2,3)4)24-27(14)17/h7-8,10-11,13,18H,5-6,9H2,1-4H3.
What are the key properties of 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine?
2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 438.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110218904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).