2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C15H15F4N5O4 — CID 172615287

IUPAC2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1c(COCF)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12
InChIInChI=1S/C15H15F4N5O4/c16-6-27-5-9-11(12(20)25)13-21-2-1-10(24(13)23-9)14(26)22-7-3-8(4-7)28-15(17,18)19/h1-2,7-8H,3-6H2,(H2,20,25)(H,22,26)
InChIKeyUTSIMKMAKHHLHR-UHFFFAOYSA-N
MW405.31 g/mol
LogP1.07
Rot. Bonds7

About 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615287) has the molecular formula C15H15F4N5O4 and a molecular weight of 405.31 g/mol. Its IUPAC name is 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615287
Molecular FormulaC15H15F4N5O4
Molecular Weight405.31 g/mol
Exact Mass405.11
IUPAC Name2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1c(COCF)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12
InChIInChI=1S/C15H15F4N5O4/c16-6-27-5-9-11(12(20)25)13-21-2-1-10(24(13)23-9)14(26)22-7-3-8(4-7)28-15(17,18)19/h1-2,7-8H,3-6H2,(H2,20,25)(H,22,26)
InChIKeyUTSIMKMAKHHLHR-UHFFFAOYSA-N
XLogP1.07
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615287) is 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1c(COCF)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12.
What is the InChIKey of 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is UTSIMKMAKHHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N5O4/c16-6-27-5-9-11(12(20)25)13-21-2-1-10(24(13)23-9)14(26)22-7-3-8(4-7)28-15(17,18)19/h1-2,7-8H,3-6H2,(H2,20,25)(H,22,26).
What are the key properties of 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 405.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).