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

C17H13F5N4O — CID 3245446

IUPAC7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3C(F)(F)F)c2n1
InChIInChI=1S/C17H13F5N4O/c1-9-6-13(14(18)19)26-15(25-9)11(8-24-26)16(27)23-7-10-4-2-3-5-12(10)17(20,21)22/h2-6,8,14H,7H2,1H3,(H,23,27)
InChIKeyNFEMHWGKIMYZJN-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.92
Rot. Bonds4

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

7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3245446) has the molecular formula C17H13F5N4O and a molecular weight of 384.31 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3245446
Molecular FormulaC17H13F5N4O
Molecular Weight384.31 g/mol
Exact Mass384.10
IUPAC Name7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3C(F)(F)F)c2n1
InChIInChI=1S/C17H13F5N4O/c1-9-6-13(14(18)19)26-15(25-9)11(8-24-26)16(27)23-7-10-4-2-3-5-12(10)17(20,21)22/h2-6,8,14H,7H2,1H3,(H,23,27)
InChIKeyNFEMHWGKIMYZJN-UHFFFAOYSA-N
XLogP3.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3245446) is 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3C(F)(F)F)c2n1.
What is the InChIKey of 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NFEMHWGKIMYZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N4O/c1-9-6-13(14(18)19)26-15(25-9)11(8-24-26)16(27)23-7-10-4-2-3-5-12(10)17(20,21)22/h2-6,8,14H,7H2,1H3,(H,23,27).
What are the key properties of 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3245446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).