N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H6F4N4O — CID 19414444

IUPACN-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1cnn2cccnc12
InChIInChI=1S/C13H6F4N4O/c14-7-4-8(15)10(17)11(9(7)16)20-13(22)6-5-19-21-3-1-2-18-12(6)21/h1-5H,(H,20,22)
InChIKeyXRXKWKTZDDLSKV-UHFFFAOYSA-N
MW310.21 g/mol
LogP2.54
Rot. Bonds2

About N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414444) has the molecular formula C13H6F4N4O and a molecular weight of 310.21 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414444
Molecular FormulaC13H6F4N4O
Molecular Weight310.21 g/mol
Exact Mass310.05
IUPAC NameN-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1cnn2cccnc12
InChIInChI=1S/C13H6F4N4O/c14-7-4-8(15)10(17)11(9(7)16)20-13(22)6-5-19-21-3-1-2-18-12(6)21/h1-5H,(H,20,22)
InChIKeyXRXKWKTZDDLSKV-UHFFFAOYSA-N
XLogP2.54
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414444) is N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1c(F)c(F)cc(F)c1F)c1cnn2cccnc12.
What is the InChIKey of N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XRXKWKTZDDLSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N4O/c14-7-4-8(15)10(17)11(9(7)16)20-13(22)6-5-19-21-3-1-2-18-12(6)21/h1-5H,(H,20,22).
What are the key properties of N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 310.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).