7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H18F2N4O — CID 5074183

IUPAC7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H18F2N4O/c23-20(24)19-13-18(16-9-5-2-6-10-16)27-21-17(14-26-28(19)21)22(29)25-12-11-15-7-3-1-4-8-15/h1-10,13-14,20H,11-12H2,(H,25,29)
InChIKeyWFJOWDVRUQIRTK-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.31
Rot. Bonds6

About 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5074183) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5074183
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H18F2N4O/c23-20(24)19-13-18(16-9-5-2-6-10-16)27-21-17(14-26-28(19)21)22(29)25-12-11-15-7-3-1-4-8-15/h1-10,13-14,20H,11-12H2,(H,25,29)
InChIKeyWFJOWDVRUQIRTK-UHFFFAOYSA-N
XLogP4.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19590027
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327919
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
7-(difluoromethyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17026611
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1229813
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19296631

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5074183) is 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WFJOWDVRUQIRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c23-20(24)19-13-18(16-9-5-2-6-10-16)27-21-17(14-26-28(19)21)22(29)25-12-11-15-7-3-1-4-8-15/h1-10,13-14,20H,11-12H2,(H,25,29).
What are the key properties of 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5074183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).