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

C22H19ClF3N5O2 — CID 122639746

IUPAC2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)cc1Cl
InChIInChI=1S/C22H19ClF3N5O2/c1-12-2-3-13(10-16(12)23)19-18(20(27)32)17-11-30(8-9-31(17)29-19)21(33)28-15-6-4-14(5-7-15)22(24,25)26/h2-7,10H,8-9,11H2,1H3,(H2,27,32)(H,28,33)
InChIKeyVGZDLMIMZHEFRH-UHFFFAOYSA-N
MW477.87 g/mol
LogP4.68
Rot. Bonds3

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

2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122639746) has the molecular formula C22H19ClF3N5O2 and a molecular weight of 477.87 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122639746
Molecular FormulaC22H19ClF3N5O2
Molecular Weight477.87 g/mol
Exact Mass477.12
IUPAC Name2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)cc1Cl
InChIInChI=1S/C22H19ClF3N5O2/c1-12-2-3-13(10-16(12)23)19-18(20(27)32)17-11-30(8-9-31(17)29-19)21(33)28-15-6-4-14(5-7-15)22(24,25)26/h2-7,10H,8-9,11H2,1H3,(H2,27,32)(H,28,33)
InChIKeyVGZDLMIMZHEFRH-UHFFFAOYSA-N
XLogP4.68
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.87
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122639746) is 2-(3-chloro-4-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-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is VGZDLMIMZHEFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N5O2/c1-12-2-3-13(10-16(12)23)19-18(20(27)32)17-11-30(8-9-31(17)29-19)21(33)28-15-6-4-14(5-7-15)22(24,25)26/h2-7,10H,8-9,11H2,1H3,(H2,27,32)(H,28,33).
What are the key properties of 2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 477.87 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122639746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).