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

C23H21F3N4O3 — CID 118693775

IUPAC2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
SMILESCOCc1ccccc1C(=O)Nc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C
InChIInChI=1S/C23H21F3N4O3/c1-14-12-29(17-9-7-16(8-10-17)23(24,25)26)22(32)20-19(11-27-30(14)20)28-21(31)18-6-4-3-5-15(18)13-33-2/h3-11,14H,12-13H2,1-2H3,(H,28,31)/t14-/m0/s1
InChIKeyPCVOJAFEOJQIFL-AWEZNQCLSA-N
MW458.44 g/mol
LogP4.52
Rot. Bonds5

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

2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide (PubChem CID 118693775) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
PubChem CID118693775
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
SMILESCOCc1ccccc1C(=O)Nc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C
InChIInChI=1S/C23H21F3N4O3/c1-14-12-29(17-9-7-16(8-10-17)23(24,25)26)22(32)20-19(11-27-30(14)20)28-21(31)18-6-4-3-5-15(18)13-33-2/h3-11,14H,12-13H2,1-2H3,(H,28,31)/t14-/m0/s1
InChIKeyPCVOJAFEOJQIFL-AWEZNQCLSA-N
XLogP4.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The IUPAC name of 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide (CID 118693775) is 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide is COCc1ccccc1C(=O)Nc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C.
What is the InChIKey of 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The InChIKey is PCVOJAFEOJQIFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-14-12-29(17-9-7-16(8-10-17)23(24,25)26)22(32)20-19(11-27-30(14)20)28-21(31)18-6-4-3-5-15(18)13-33-2/h3-11,14H,12-13H2,1-2H3,(H,28,31)/t14-/m0/s1.
What are the key properties of 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide has a molecular weight of 458.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 118693775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).