7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H17F3N4OS — CID 19459852

IUPAC7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C26H17F3N4OS/c27-17-12-10-16(11-13-17)21-14-22(24(28)29)33-25(31-21)19(15-30-33)26(34)32-20-8-4-5-9-23(20)35-18-6-2-1-3-7-18/h1-15,24H,(H,32,34)
InChIKeyBGFFZAKEPQAFIG-UHFFFAOYSA-N
MW490.51 g/mol
LogP6.88
Rot. Bonds6

About 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19459852) has the molecular formula C26H17F3N4OS and a molecular weight of 490.51 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19459852
Molecular FormulaC26H17F3N4OS
Molecular Weight490.51 g/mol
Exact Mass490.11
IUPAC Name7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C26H17F3N4OS/c27-17-12-10-16(11-13-17)21-14-22(24(28)29)33-25(31-21)19(15-30-33)26(34)32-20-8-4-5-9-23(20)35-18-6-2-1-3-7-18/h1-15,24H,(H,32,34)
InChIKeyBGFFZAKEPQAFIG-UHFFFAOYSA-N
XLogP6.88
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.51
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
N-[2-(difluoromethoxy)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447241
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
7-(difluoromethyl)-5-(4-fluorophenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459854
N-cyclopentyl-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459835
7-(difluoromethyl)-N-(3-hydroxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447322
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17382177
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459938
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19459852) is 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1Sc1ccccc1)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BGFFZAKEPQAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4OS/c27-17-12-10-16(11-13-17)21-14-22(24(28)29)33-25(31-21)19(15-30-33)26(34)32-20-8-4-5-9-23(20)35-18-6-2-1-3-7-18/h1-15,24H,(H,32,34).
What are the key properties of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 490.51 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19459852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).