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

C20H18F4N4 — CID 122665015

IUPAC5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cccnc1-c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1F)C2
InChIInChI=1S/C20H18F4N4/c1-13-3-2-6-25-19(13)18-10-16-12-27(7-8-28(16)26-18)11-14-4-5-15(9-17(14)21)20(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyXKRHCMWXULPNIJ-UHFFFAOYSA-N
MW390.38 g/mol
LogP4.43
Rot. Bonds3

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

5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 122665015) has the molecular formula C20H18F4N4 and a molecular weight of 390.38 g/mol. Its IUPAC name is 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID122665015
Molecular FormulaC20H18F4N4
Molecular Weight390.38 g/mol
Exact Mass390.15
IUPAC Name5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cccnc1-c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1F)C2
InChIInChI=1S/C20H18F4N4/c1-13-3-2-6-25-19(13)18-10-16-12-27(7-8-28(16)26-18)11-14-4-5-15(9-17(14)21)20(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyXKRHCMWXULPNIJ-UHFFFAOYSA-N
XLogP4.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 122665015) is 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1cccnc1-c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1F)C2.
What is the InChIKey of 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is XKRHCMWXULPNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4/c1-13-3-2-6-25-19(13)18-10-16-12-27(7-8-28(16)26-18)11-14-4-5-15(9-17(14)21)20(22,23)24/h2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 390.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 122665015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).