7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H10ClF5N4O2 — CID 1045068

IUPAC7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C19H10ClF5N4O2/c20-18(21,22)15-8-12(14-5-2-6-31-14)27-16-9-13(28-29(15)16)17(30)26-11-4-1-3-10(7-11)19(23,24)25/h1-9H,(H,26,30)
InChIKeyHMFJKGGPDBILDR-UHFFFAOYSA-N
MW456.76 g/mol
LogP5.55
Rot. Bonds4

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

7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1045068) has the molecular formula C19H10ClF5N4O2 and a molecular weight of 456.76 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1045068
Molecular FormulaC19H10ClF5N4O2
Molecular Weight456.76 g/mol
Exact Mass456.04
IUPAC Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C19H10ClF5N4O2/c20-18(21,22)15-8-12(14-5-2-6-31-14)27-16-9-13(28-29(15)16)17(30)26-11-4-1-3-10(7-11)19(23,24)25/h1-9H,(H,26,30)
InChIKeyHMFJKGGPDBILDR-UHFFFAOYSA-N
XLogP5.55
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.76
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1045068) is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HMFJKGGPDBILDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF5N4O2/c20-18(21,22)15-8-12(14-5-2-6-31-14)27-16-9-13(28-29(15)16)17(30)26-11-4-1-3-10(7-11)19(23,24)25/h1-9H,(H,26,30).
What are the key properties of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 456.76 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1045068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).