ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C24H19F3N4O4 — CID 24969567

IUPACethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4ccc(OC)c(C(F)(F)F)c4)c3)ccnc12
InChIInChI=1S/C24H19F3N4O4/c1-3-35-23(33)17-13-29-31-19(9-10-28-21(17)31)14-5-4-6-16(11-14)30-22(32)15-7-8-20(34-2)18(12-15)24(25,26)27/h4-13H,3H2,1-2H3,(H,30,32)
InChIKeyOQAJZRGPPOXKEL-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.85
Rot. Bonds6

About ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 24969567) has the molecular formula C24H19F3N4O4 and a molecular weight of 484.43 g/mol. Its IUPAC name is ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID24969567
Molecular FormulaC24H19F3N4O4
Molecular Weight484.43 g/mol
Exact Mass484.14
IUPAC Nameethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4ccc(OC)c(C(F)(F)F)c4)c3)ccnc12
InChIInChI=1S/C24H19F3N4O4/c1-3-35-23(33)17-13-29-31-19(9-10-28-21(17)31)14-5-4-6-16(11-14)30-22(32)15-7-8-20(34-2)18(12-15)24(25,26)27/h4-13H,3H2,1-2H3,(H,30,32)
InChIKeyOQAJZRGPPOXKEL-UHFFFAOYSA-N
XLogP4.85
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 24969567) is ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4ccc(OC)c(C(F)(F)F)c4)c3)ccnc12.
What is the InChIKey of ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is OQAJZRGPPOXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4/c1-3-35-23(33)17-13-29-31-19(9-10-28-21(17)31)14-5-4-6-16(11-14)30-22(32)15-7-8-20(34-2)18(12-15)24(25,26)27/h4-13H,3H2,1-2H3,(H,30,32).
What are the key properties of ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 484.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[3-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 24969567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).