N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide

C14H11F4N5O — CID 146513812

IUPACN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1)n1cc(F)cn1
InChIInChI=1S/C14H11F4N5O/c1-13(2,23-7-8(15)5-21-23)12(24)22-9-3-10(14(16,17)18)11(4-19)20-6-9/h3,5-7H,1-2H3,(H,22,24)
InChIKeyGIZAMRJEEHKINE-UHFFFAOYSA-N
MW341.27 g/mol
LogP2.68
Rot. Bonds3

About N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide (PubChem CID 146513812) has the molecular formula C14H11F4N5O and a molecular weight of 341.27 g/mol. Its IUPAC name is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide
PubChem CID146513812
Molecular FormulaC14H11F4N5O
Molecular Weight341.27 g/mol
Exact Mass341.09
IUPAC NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1)n1cc(F)cn1
InChIInChI=1S/C14H11F4N5O/c1-13(2,23-7-8(15)5-21-23)12(24)22-9-3-10(14(16,17)18)11(4-19)20-6-9/h3,5-7H,1-2H3,(H,22,24)
InChIKeyGIZAMRJEEHKINE-UHFFFAOYSA-N
XLogP2.68
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide (CID 146513812) is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1)n1cc(F)cn1.
What is the InChIKey of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide?
The InChIKey is GIZAMRJEEHKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N5O/c1-13(2,23-7-8(15)5-21-23)12(24)22-9-3-10(14(16,17)18)11(4-19)20-6-9/h3,5-7H,1-2H3,(H,22,24).
What are the key properties of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide?
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide has a molecular weight of 341.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(4-fluoropyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 146513812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).