7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

C23H20F3N3O2S — CID 66964172

IUPAC7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(Cc1ccccc1)(c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12)S(C)(=O)=O
InChIInChI=1S/C23H20F3N3O2S/c1-22(32(2,30)31,14-16-6-4-3-5-7-16)20-12-13-27-21-19(15-28-29(20)21)17-8-10-18(11-9-17)23(24,25)26/h3-13,15H,14H2,1-2H3
InChIKeyILEQZAIZTBXKOM-UHFFFAOYSA-N
MW459.49 g/mol
LogP4.92
Rot. Bonds5

About 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 66964172) has the molecular formula C23H20F3N3O2S and a molecular weight of 459.49 g/mol. Its IUPAC name is 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID66964172
Molecular FormulaC23H20F3N3O2S
Molecular Weight459.49 g/mol
Exact Mass459.12
IUPAC Name7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(Cc1ccccc1)(c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12)S(C)(=O)=O
InChIInChI=1S/C23H20F3N3O2S/c1-22(32(2,30)31,14-16-6-4-3-5-7-16)20-12-13-27-21-19(15-28-29(20)21)17-8-10-18(11-9-17)23(24,25)26/h3-13,15H,14H2,1-2H3
InChIKeyILEQZAIZTBXKOM-UHFFFAOYSA-N
XLogP4.92
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cep-33779
CID 57336812
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
2-(Methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
CID 44155107
2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1474430
Ro4988546
CID 73755205
5-(3-Cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
CID 122193263
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-(1-methylsulfonylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 168285534
2-Methyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4639536
2-(Methylthio)-7-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1482338
5-Methanesulfonyl-2-(5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-pyridine
CID 9947370
2-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 9968215
2-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10110609

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 66964172) is 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is CC(Cc1ccccc1)(c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12)S(C)(=O)=O.
What is the InChIKey of 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is ILEQZAIZTBXKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2S/c1-22(32(2,30)31,14-16-6-4-3-5-7-16)20-12-13-27-21-19(15-28-29(20)21)17-8-10-18(11-9-17)23(24,25)26/h3-13,15H,14H2,1-2H3.
What are the key properties of 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 459.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylsulfonyl-1-phenylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66964172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).