ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H12F3N5O2 — CID 121361564

IUPACethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(C)c(-n3cnc(C(F)(F)F)c3)nc12
InChIInChI=1S/C14H12F3N5O2/c1-3-24-13(23)9-4-19-22-5-8(2)11(20-12(9)22)21-6-10(18-7-21)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyMWGXZUSAJODADT-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.42
Rot. Bonds3

About ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 121361564) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID121361564
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Nameethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(C)c(-n3cnc(C(F)(F)F)c3)nc12
InChIInChI=1S/C14H12F3N5O2/c1-3-24-13(23)9-4-19-22-5-8(2)11(20-12(9)22)21-6-10(18-7-21)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyMWGXZUSAJODADT-UHFFFAOYSA-N
XLogP2.42
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 121361564) is ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2cc(C)c(-n3cnc(C(F)(F)F)c3)nc12.
What is the InChIKey of ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is MWGXZUSAJODADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-3-24-13(23)9-4-19-22-5-8(2)11(20-12(9)22)21-6-10(18-7-21)14(15,16)17/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 339.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-[4-(trifluoromethyl)imidazol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 121361564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).