N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide

C18H14F4N4O — CID 58487388

IUPACN-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C)cc2F)cc1
InChIInChI=1S/C18H14F4N4O/c1-10-3-5-11(6-4-10)17(27)24-16-13(19)7-12(9-23-16)14-8-15(18(20,21)22)25-26(14)2/h3-9H,1-2H3,(H,23,24,27)
InChIKeyRNRBMIVNTRRQQI-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.20
Rot. Bonds3

About N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide

N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 58487388) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
PubChem CID58487388
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC NameN-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C)cc2F)cc1
InChIInChI=1S/C18H14F4N4O/c1-10-3-5-11(6-4-10)17(27)24-16-13(19)7-12(9-23-16)14-8-15(18(20,21)22)25-26(14)2/h3-9H,1-2H3,(H,23,24,27)
InChIKeyRNRBMIVNTRRQQI-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (CID 58487388) is N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C)cc2F)cc1.
What is the InChIKey of N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is RNRBMIVNTRRQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-10-3-5-11(6-4-10)17(27)24-16-13(19)7-12(9-23-16)14-8-15(18(20,21)22)25-26(14)2/h3-9H,1-2H3,(H,23,24,27).
What are the key properties of N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide?
N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 378.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 58487388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).