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

C19H17ClF4N4O3 — CID 156722389

IUPACN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.Cc1[nH]nc(Cl)c1NC(=O)c1cc(F)c(-c2cccc(=O)[nH]2)cc1O
InChIInChI=1S/C16H12ClFN4O3.C3H5F3/c1-7-14(15(17)22-21-7)20-16(25)9-5-10(18)8(6-12(9)23)11-3-2-4-13(24)19-11;1-2-3(4,5)6/h2-6,23H,1H3,(H,19,24)(H,20,25)(H,21,22);2H2,1H3
InChIKeyBFLPHZCWSRQIRO-UHFFFAOYSA-N
MW460.82 g/mol
LogP4.78
Rot. Bonds3

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

N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane (PubChem CID 156722389) has the molecular formula C19H17ClF4N4O3 and a molecular weight of 460.82 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane.

Molecular Properties

Compound NameN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane
PubChem CID156722389
Molecular FormulaC19H17ClF4N4O3
Molecular Weight460.82 g/mol
Exact Mass460.09
IUPAC NameN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.Cc1[nH]nc(Cl)c1NC(=O)c1cc(F)c(-c2cccc(=O)[nH]2)cc1O
InChIInChI=1S/C16H12ClFN4O3.C3H5F3/c1-7-14(15(17)22-21-7)20-16(25)9-5-10(18)8(6-12(9)23)11-3-2-4-13(24)19-11;1-2-3(4,5)6/h2-6,23H,1H3,(H,19,24)(H,20,25)(H,21,22);2H2,1H3
InChIKeyBFLPHZCWSRQIRO-UHFFFAOYSA-N
XLogP4.78
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.82
LogP ≤ 54.78
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-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane?
The IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane (CID 156722389) is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane.
What is the SMILES notation for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane?
The canonical SMILES for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane is CCC(F)(F)F.Cc1[nH]nc(Cl)c1NC(=O)c1cc(F)c(-c2cccc(=O)[nH]2)cc1O.
What is the InChIKey of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane?
The InChIKey is BFLPHZCWSRQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O3.C3H5F3/c1-7-14(15(17)22-21-7)20-16(25)9-5-10(18)8(6-12(9)23)11-3-2-4-13(24)19-11;1-2-3(4,5)6/h2-6,23H,1H3,(H,19,24)(H,20,25)(H,21,22);2H2,1H3.
What are the key properties of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane?
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane has a molecular weight of 460.82 g/mol, XLogP of 4.78, 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-2-hydroxy-4-(6-oxo-1H-pyridin-2-yl)benzamide;1,1,1-trifluoropropane is sourced from PubChem (CID 156722389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).