7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C16H15F3N4O4 — CID 119065316

IUPAC7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2n(n1)CC(O)CNC2=O
InChIInChI=1S/C16H15F3N4O4/c17-16(18,19)27-11-3-1-9(2-4-11)6-20-14(25)12-5-13-15(26)21-7-10(24)8-23(13)22-12/h1-5,10,24H,6-8H2,(H,20,25)(H,21,26)
InChIKeyPUXPRFDVMIXNHG-UHFFFAOYSA-N
MW384.31 g/mol
LogP0.82
Rot. Bonds4

About 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 119065316) has the molecular formula C16H15F3N4O4 and a molecular weight of 384.31 g/mol. Its IUPAC name is 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID119065316
Molecular FormulaC16H15F3N4O4
Molecular Weight384.31 g/mol
Exact Mass384.10
IUPAC Name7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2n(n1)CC(O)CNC2=O
InChIInChI=1S/C16H15F3N4O4/c17-16(18,19)27-11-3-1-9(2-4-11)6-20-14(25)12-5-13-15(26)21-7-10(24)8-23(13)22-12/h1-5,10,24H,6-8H2,(H,20,25)(H,21,26)
InChIKeyPUXPRFDVMIXNHG-UHFFFAOYSA-N
XLogP0.82
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135115943
7-hydroxy-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135088020
7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135097153
(7S)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 124756534
2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 144874262
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
(7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 126451586
1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 17396464
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
4-bromo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 37039903
6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 71805186
1-methyl-3-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 70742885

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 119065316) is 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2n(n1)CC(O)CNC2=O.
What is the InChIKey of 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is PUXPRFDVMIXNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O4/c17-16(18,19)27-11-3-1-9(2-4-11)6-20-14(25)12-5-13-15(26)21-7-10(24)8-23(13)22-12/h1-5,10,24H,6-8H2,(H,20,25)(H,21,26).
What are the key properties of 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 384.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 119065316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).