(6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C23H18F3N5O2 — CID 170713154

IUPAC(6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C23H18F3N5O2/c1-14-13-30-20(19(12-28-30)21(32)29-17-4-2-3-16(9-17)11-27)22(33)31(14)18-7-5-15(6-8-18)10-23(24,25)26/h2-9,12,14H,10,13H2,1H3,(H,29,32)/t14-/m0/s1
InChIKeyHAGAQUZUASEDDW-AWEZNQCLSA-N
MW453.42 g/mol
LogP4.16
Rot. Bonds4

About (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

(6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170713154) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID170713154
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC Name(6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C23H18F3N5O2/c1-14-13-30-20(19(12-28-30)21(32)29-17-4-2-3-16(9-17)11-27)22(33)31(14)18-7-5-15(6-8-18)10-23(24,25)26/h2-9,12,14H,10,13H2,1H3,(H,29,32)/t14-/m0/s1
InChIKeyHAGAQUZUASEDDW-AWEZNQCLSA-N
XLogP4.16
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174204390
N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174204932
(6S)-N-(3-cyanophenyl)-5-[4-[(2,2-difluorocyclopropyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713572
(6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713139
(6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713202
3-cyano-N-[6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethylamino)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 174207848
N-(4-bromo-3-cyanophenyl)-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174163045
N-(3-cyanophenyl)-5-[4-(1,1-difluoropropyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712893
N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712779
N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713527
N-[4-(2-aminoethoxy)-3-cyanophenyl]-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174162885
N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713231

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170713154) is (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is C[C@H]1Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is HAGAQUZUASEDDW-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c1-14-13-30-20(19(12-28-30)21(32)29-17-4-2-3-16(9-17)11-27)22(33)31(14)18-7-5-15(6-8-18)10-23(24,25)26/h2-9,12,14H,10,13H2,1H3,(H,29,32)/t14-/m0/s1.
What are the key properties of (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
(6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 453.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170713154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).