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

C15H16F3N5O4 — CID 172615215

IUPAC2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C15H16F3N5O4/c1-26-6-9-11(12(19)24)13-20-3-2-10(23(13)22-9)14(25)21-7-4-8(5-7)27-15(16,17)18/h2-3,7-8H,4-6H2,1H3,(H2,19,24)(H,21,25)
InChIKeyXGDGZEJPBFBWKL-UHFFFAOYSA-N
MW387.32 g/mol
LogP0.77
Rot. Bonds6

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

2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615215) has the molecular formula C15H16F3N5O4 and a molecular weight of 387.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615215
Molecular FormulaC15H16F3N5O4
Molecular Weight387.32 g/mol
Exact Mass387.12
IUPAC Name2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C15H16F3N5O4/c1-26-6-9-11(12(19)24)13-20-3-2-10(23(13)22-9)14(25)21-7-4-8(5-7)27-15(16,17)18/h2-3,7-8H,4-6H2,1H3,(H2,19,24)(H,21,25)
InChIKeyXGDGZEJPBFBWKL-UHFFFAOYSA-N
XLogP0.77
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 102200425
7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615119
7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615130
8-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)imidazo[1,2-b]pyridazine-3,8-dicarboxamide
CID 172615135
7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615168
2-(methylamino)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615171
2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615180
3-bromo-2-(fluoromethoxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615185
3-bromo-N-(3,3-difluorocyclobutyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615195
2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615207
3-bromo-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615208
2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615217

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615215) is 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is XGDGZEJPBFBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O4/c1-26-6-9-11(12(19)24)13-20-3-2-10(23(13)22-9)14(25)21-7-4-8(5-7)27-15(16,17)18/h2-3,7-8H,4-6H2,1H3,(H2,19,24)(H,21,25).
What are the key properties of 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 387.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).