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

C24H23F3N4O2 — CID 46169887

IUPAC4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3n(n2)CCN(Cc2ccc(C(F)(F)F)cc2)C3=O)cc1
InChIInChI=1S/C24H23F3N4O2/c1-15(2)17-5-9-19(10-6-17)28-22(32)20-13-21-23(33)30(11-12-31(21)29-20)14-16-3-7-18(8-4-16)24(25,26)27/h3-10,13,15H,11-12,14H2,1-2H3,(H,28,32)
InChIKeyUXUJMWCAELQZIY-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.93
Rot. Bonds5

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

4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46169887) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46169887
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3n(n2)CCN(Cc2ccc(C(F)(F)F)cc2)C3=O)cc1
InChIInChI=1S/C24H23F3N4O2/c1-15(2)17-5-9-19(10-6-17)28-22(32)20-13-21-23(33)30(11-12-31(21)29-20)14-16-3-7-18(8-4-16)24(25,26)27/h3-10,13,15H,11-12,14H2,1-2H3,(H,28,32)
InChIKeyUXUJMWCAELQZIY-UHFFFAOYSA-N
XLogP4.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078698
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077090
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078695
N-[(4-fluorophenyl)methyl]-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077354
methyl 5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475682
N-butan-2-yl-5-[(4-chlorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50797863
4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 66921153
N-(4-chloro-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53086344
5-[(4-chlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875171
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169310
N-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-5-[(4-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 42854942

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46169887) is 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CC(C)c1ccc(NC(=O)c2cc3n(n2)CCN(Cc2ccc(C(F)(F)F)cc2)C3=O)cc1.
What is the InChIKey of 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is UXUJMWCAELQZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-15(2)17-5-9-19(10-6-17)28-22(32)20-13-21-23(33)30(11-12-31(21)29-20)14-16-3-7-18(8-4-16)24(25,26)27/h3-10,13,15H,11-12,14H2,1-2H3,(H,28,32).
What are the key properties of 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46169887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).