N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane

C19H16ClF5N4O3 — CID 156722572

IUPACN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.Cc1[nH]nc(Cl)c1NC(=O)c1cc(F)c(-c2ccc(F)c(=O)[nH]2)cc1O
InChIInChI=1S/C16H11ClF2N4O3.C3H5F3/c1-6-13(14(17)23-22-6)21-15(25)8-4-10(19)7(5-12(8)24)11-3-2-9(18)16(26)20-11;1-2-3(4,5)6/h2-5,24H,1H3,(H,20,26)(H,21,25)(H,22,23);2H2,1H3
InChIKeyZFSHIXCVMIOXCN-UHFFFAOYSA-N
MW478.81 g/mol
LogP4.92
Rot. Bonds3

About N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane

N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane (PubChem CID 156722572) has the molecular formula C19H16ClF5N4O3 and a molecular weight of 478.81 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane.

Molecular Properties

Compound NameN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane
PubChem CID156722572
Molecular FormulaC19H16ClF5N4O3
Molecular Weight478.81 g/mol
Exact Mass478.08
IUPAC NameN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.Cc1[nH]nc(Cl)c1NC(=O)c1cc(F)c(-c2ccc(F)c(=O)[nH]2)cc1O
InChIInChI=1S/C16H11ClF2N4O3.C3H5F3/c1-6-13(14(17)23-22-6)21-15(25)8-4-10(19)7(5-12(8)24)11-3-2-9(18)16(26)20-11;1-2-3(4,5)6/h2-5,24H,1H3,(H,20,26)(H,21,25)(H,22,23);2H2,1H3
InChIKeyZFSHIXCVMIOXCN-UHFFFAOYSA-N
XLogP4.92
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.81
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane?
The IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane (CID 156722572) is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane.
What is the SMILES notation for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane?
The canonical SMILES for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane is CCC(F)(F)F.Cc1[nH]nc(Cl)c1NC(=O)c1cc(F)c(-c2ccc(F)c(=O)[nH]2)cc1O.
What is the InChIKey of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane?
The InChIKey is ZFSHIXCVMIOXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O3.C3H5F3/c1-6-13(14(17)23-22-6)21-15(25)8-4-10(19)7(5-12(8)24)11-3-2-9(18)16(26)20-11;1-2-3(4,5)6/h2-5,24H,1H3,(H,20,26)(H,21,25)(H,22,23);2H2,1H3.
What are the key properties of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane?
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane has a molecular weight of 478.81 g/mol, XLogP of 4.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(5-fluoro-6-oxo-1H-pyridin-2-yl)-2-hydroxybenzamide;1,1,1-trifluoropropane is sourced from PubChem (CID 156722572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).