N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide

C18H14F3N5O3 — CID 118693869

IUPACN-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ncco3)cnn21
InChIInChI=1S/C18H14F3N5O3/c1-10-9-25(12-4-2-11(3-5-12)18(19,20)21)17(28)14-13(8-23-26(10)14)24-15(27)16-22-6-7-29-16/h2-8,10H,9H2,1H3,(H,24,27)/t10-/m0/s1
InChIKeyOFYQPTWODPFMJE-JTQLQIEISA-N
MW405.34 g/mol
LogP3.36
Rot. Bonds3

About N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide

N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide (PubChem CID 118693869) has the molecular formula C18H14F3N5O3 and a molecular weight of 405.34 g/mol. Its IUPAC name is N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide
PubChem CID118693869
Molecular FormulaC18H14F3N5O3
Molecular Weight405.34 g/mol
Exact Mass405.10
IUPAC NameN-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ncco3)cnn21
InChIInChI=1S/C18H14F3N5O3/c1-10-9-25(12-4-2-11(3-5-12)18(19,20)21)17(28)14-13(8-23-26(10)14)24-15(27)16-22-6-7-29-16/h2-8,10H,9H2,1H3,(H,24,27)/t10-/m0/s1
InChIKeyOFYQPTWODPFMJE-JTQLQIEISA-N
XLogP3.36
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide (CID 118693869) is N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide is C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ncco3)cnn21.
What is the InChIKey of N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide?
The InChIKey is OFYQPTWODPFMJE-JTQLQIEISA-N. The full InChI is InChI=1S/C18H14F3N5O3/c1-10-9-25(12-4-2-11(3-5-12)18(19,20)21)17(28)14-13(8-23-26(10)14)24-15(27)16-22-6-7-29-16/h2-8,10H,9H2,1H3,(H,24,27)/t10-/m0/s1.
What are the key properties of N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide?
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide has a molecular weight of 405.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 118693869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).