2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C22H19F4N5O2 — CID 118080376

IUPAC2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(F)cc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)c1
InChIInChI=1S/C22H19F4N5O2/c1-12-8-13(10-15(23)9-12)19-18(20(27)32)17-11-30(6-7-31(17)29-19)21(33)28-16-4-2-14(3-5-16)22(24,25)26/h2-5,8-10H,6-7,11H2,1H3,(H2,27,32)(H,28,33)
InChIKeyFBPMVECUNSFPOI-UHFFFAOYSA-N
MW461.42 g/mol
LogP4.16
Rot. Bonds3

About 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118080376) has the molecular formula C22H19F4N5O2 and a molecular weight of 461.42 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118080376
Molecular FormulaC22H19F4N5O2
Molecular Weight461.42 g/mol
Exact Mass461.15
IUPAC Name2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(F)cc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)c1
InChIInChI=1S/C22H19F4N5O2/c1-12-8-13(10-15(23)9-12)19-18(20(27)32)17-11-30(6-7-31(17)29-19)21(33)28-16-4-2-14(3-5-16)22(24,25)26/h2-5,8-10H,6-7,11H2,1H3,(H2,27,32)(H,28,33)
InChIKeyFBPMVECUNSFPOI-UHFFFAOYSA-N
XLogP4.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US9598423, Example 108
CID 118071186
(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483826
CID 137452620
CID 137452620
CID 137452722
CID 137452722
CID 145435024
CID 145435024
6-cyclopropyl-3-[4-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151438935
2-(4-Fluoro-3-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983765
5-(4-((diethylamino)methyl)phenethyl)-N-(4-fluorophenyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 16659061
5-(4-((dimethylamino)methyl)phenethyl)-N-(4-fluorophenyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 44417934
(6S)-6-methyl-3-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166627192
(6S)-6-methyl-3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166630587
N-[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 57510675

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118080376) is 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1cc(F)cc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is FBPMVECUNSFPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O2/c1-12-8-13(10-15(23)9-12)19-18(20(27)32)17-11-30(6-7-31(17)29-19)21(33)28-16-4-2-14(3-5-16)22(24,25)26/h2-5,8-10H,6-7,11H2,1H3,(H2,27,32)(H,28,33).
What are the key properties of 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 461.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118080376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).