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

C22H19F3N4O2 — CID 118693719

IUPAC3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)c1
InChIInChI=1S/C22H19F3N4O2/c1-13-4-3-5-15(10-13)20(30)27-18-11-26-29-14(2)12-28(21(31)19(18)29)17-8-6-16(7-9-17)22(23,24)25/h3-11,14H,12H2,1-2H3,(H,27,30)/t14-/m0/s1
InChIKeyKLHIVBFAKRZAFQ-AWEZNQCLSA-N
MW428.41 g/mol
LogP4.68
Rot. Bonds3

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

3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide (PubChem CID 118693719) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
PubChem CID118693719
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)c1
InChIInChI=1S/C22H19F3N4O2/c1-13-4-3-5-15(10-13)20(30)27-18-11-26-29-14(2)12-28(21(31)19(18)29)17-8-6-16(7-9-17)22(23,24)25/h3-11,14H,12H2,1-2H3,(H,27,30)/t14-/m0/s1
InChIKeyKLHIVBFAKRZAFQ-AWEZNQCLSA-N
XLogP4.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide (CID 118693719) is 3-methyl-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 3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide is Cc1cccc(C(=O)Nc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)c1.
What is the InChIKey of 3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The InChIKey is KLHIVBFAKRZAFQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-13-4-3-5-15(10-13)20(30)27-18-11-26-29-14(2)12-28(21(31)19(18)29)17-8-6-16(7-9-17)22(23,24)25/h3-11,14H,12H2,1-2H3,(H,27,30)/t14-/m0/s1.
What are the key properties of 3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
3-methyl-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 428.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-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 118693719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).