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

C15H8ClF5N4O — CID 998467

IUPACN-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H8ClF5N4O/c16-7-3-6(1-2-8(7)17)22-15(26)10-5-12-23-9(13(18)19)4-11(14(20)21)25(12)24-10/h1-5,13-14H,(H,22,26)
InChIKeyORAYMPDEWUVKBK-UHFFFAOYSA-N
MW390.70 g/mol
LogP4.65
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 998467) has the molecular formula C15H8ClF5N4O and a molecular weight of 390.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID998467
Molecular FormulaC15H8ClF5N4O
Molecular Weight390.70 g/mol
Exact Mass390.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H8ClF5N4O/c16-7-3-6(1-2-8(7)17)22-15(26)10-5-12-23-9(13(18)19)4-11(14(20)21)25(12)24-10/h1-5,13-14H,(H,22,26)
InChIKeyORAYMPDEWUVKBK-UHFFFAOYSA-N
XLogP4.65
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.70
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-bis(difluoromethyl)-N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447537
N-(4-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000587
5,7-bis(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447565
5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453862
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449221
N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449184
N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040999
7-(difluoromethyl)-N-(3,4-dimethylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166091727
5,7-bis(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19404889
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 998467) is N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ORAYMPDEWUVKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF5N4O/c16-7-3-6(1-2-8(7)17)22-15(26)10-5-12-23-9(13(18)19)4-11(14(20)21)25(12)24-10/h1-5,13-14H,(H,22,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 390.70 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 998467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).