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

C21H17ClF3N5O2 — CID 118061909

IUPAC2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C21H17ClF3N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)
InChIKeyFSMCHFIXGAASJV-UHFFFAOYSA-N
MW463.85 g/mol
LogP4.37
Rot. Bonds3

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

2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061909) has the molecular formula C21H17ClF3N5O2 and a molecular weight of 463.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061909
Molecular FormulaC21H17ClF3N5O2
Molecular Weight463.85 g/mol
Exact Mass463.10
IUPAC Name2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C21H17ClF3N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)
InChIKeyFSMCHFIXGAASJV-UHFFFAOYSA-N
XLogP4.37
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide 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 2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061909) is 2-(3-chlorophenyl)-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-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is FSMCHFIXGAASJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32).
What are the key properties of 2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 463.85 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).