5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H10ClF3N4O3 — CID 90112041

IUPAC5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c[nH]n2c(=O)cc(-c3ccc(Cl)c(OCC(F)(F)F)c3)nc12
InChIInChI=1S/C15H10ClF3N4O3/c16-9-2-1-7(3-11(9)26-6-15(17,18)19)10-4-12(24)23-14(22-10)8(5-21-23)13(20)25/h1-5,21H,6H2,(H2,20,25)
InChIKeyMUQIRFFGEAFJAQ-UHFFFAOYSA-N
MW386.72 g/mol
LogP2.38
Rot. Bonds4

About 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90112041) has the molecular formula C15H10ClF3N4O3 and a molecular weight of 386.72 g/mol. Its IUPAC name is 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90112041
Molecular FormulaC15H10ClF3N4O3
Molecular Weight386.72 g/mol
Exact Mass386.04
IUPAC Name5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c[nH]n2c(=O)cc(-c3ccc(Cl)c(OCC(F)(F)F)c3)nc12
InChIInChI=1S/C15H10ClF3N4O3/c16-9-2-1-7(3-11(9)26-6-15(17,18)19)10-4-12(24)23-14(22-10)8(5-21-23)13(20)25/h1-5,21H,6H2,(H2,20,25)
InChIKeyMUQIRFFGEAFJAQ-UHFFFAOYSA-N
XLogP2.38
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90112041) is 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c[nH]n2c(=O)cc(-c3ccc(Cl)c(OCC(F)(F)F)c3)nc12.
What is the InChIKey of 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MUQIRFFGEAFJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O3/c16-9-2-1-7(3-11(9)26-6-15(17,18)19)10-4-12(24)23-14(22-10)8(5-21-23)13(20)25/h1-5,21H,6H2,(H2,20,25).
What are the key properties of 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90112041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).