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

C22H18ClF3N4O2 — CID 46077258

IUPAC5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O
InChIInChI=1S/C22H18ClF3N4O2/c23-17-6-2-4-15(10-17)13-29-7-8-30-19(21(29)32)11-18(28-30)20(31)27-12-14-3-1-5-16(9-14)22(24,25)26/h1-6,9-11H,7-8,12-13H2,(H,27,31)
InChIKeyMNLYUNLKDBKFBM-UHFFFAOYSA-N
MW462.86 g/mol
LogP4.14
Rot. Bonds5

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

5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46077258) has the molecular formula C22H18ClF3N4O2 and a molecular weight of 462.86 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46077258
Molecular FormulaC22H18ClF3N4O2
Molecular Weight462.86 g/mol
Exact Mass462.11
IUPAC Name5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O
InChIInChI=1S/C22H18ClF3N4O2/c23-17-6-2-4-15(10-17)13-29-7-8-30-19(21(29)32)11-18(28-30)20(31)27-12-14-3-1-5-16(9-14)22(24,25)26/h1-6,9-11H,7-8,12-13H2,(H,27,31)
InChIKeyMNLYUNLKDBKFBM-UHFFFAOYSA-N
XLogP4.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46077258) is 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is MNLYUNLKDBKFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O2/c23-17-6-2-4-15(10-17)13-29-7-8-30-19(21(29)32)11-18(28-30)20(31)27-12-14-3-1-5-16(9-14)22(24,25)26/h1-6,9-11H,7-8,12-13H2,(H,27,31).
What are the key properties of 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 462.86 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46077258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).