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

C16H18F3N5O4 — CID 172615343

IUPAC2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCCOCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C16H18F3N5O4/c1-2-27-7-10-12(13(20)25)14-21-4-3-11(24(14)23-10)15(26)22-8-5-9(6-8)28-16(17,18)19/h3-4,8-9H,2,5-7H2,1H3,(H2,20,25)(H,22,26)
InChIKeyDDCDPLMWSYKYJQ-UHFFFAOYSA-N
MW401.35 g/mol
LogP1.16
Rot. Bonds7

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

2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615343) has the molecular formula C16H18F3N5O4 and a molecular weight of 401.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615343
Molecular FormulaC16H18F3N5O4
Molecular Weight401.35 g/mol
Exact Mass401.13
IUPAC Name2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCCOCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C16H18F3N5O4/c1-2-27-7-10-12(13(20)25)14-21-4-3-11(24(14)23-10)15(26)22-8-5-9(6-8)28-16(17,18)19/h3-4,8-9H,2,5-7H2,1H3,(H2,20,25)(H,22,26)
InChIKeyDDCDPLMWSYKYJQ-UHFFFAOYSA-N
XLogP1.16
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615343) is 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CCOCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is DDCDPLMWSYKYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O4/c1-2-27-7-10-12(13(20)25)14-21-4-3-11(24(14)23-10)15(26)22-8-5-9(6-8)28-16(17,18)19/h3-4,8-9H,2,5-7H2,1H3,(H2,20,25)(H,22,26).
What are the key properties of 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 401.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).