N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide

C15H13F3N4O2 — CID 100635884

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)8-22-12-3-2-10(7-9(12)1-4-13(22)23)20-14(24)11-5-6-19-21-11/h2-3,5-7H,1,4,8H2,(H,19,21)(H,20,24)
InChIKeyJMUUFJMTRBZWSD-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.50
Rot. Bonds3

About N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide (PubChem CID 100635884) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
PubChem CID100635884
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)8-22-12-3-2-10(7-9(12)1-4-13(22)23)20-14(24)11-5-6-19-21-11/h2-3,5-7H,1,4,8H2,(H,19,21)(H,20,24)
InChIKeyJMUUFJMTRBZWSD-UHFFFAOYSA-N
XLogP2.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
CID 60597542
3-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)pyridine-4-carboxamide
CID 75515505
2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinoline-6-sulfonyl chloride
CID 114953184
1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
CID 71842967
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
3,4-dichloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926773
2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide
CID 119050626
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide
CID 122144073

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide (CID 100635884) is N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is JMUUFJMTRBZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c16-15(17,18)8-22-12-3-2-10(7-9(12)1-4-13(22)23)20-14(24)11-5-6-19-21-11/h2-3,5-7H,1,4,8H2,(H,19,21)(H,20,24).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 100635884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).