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

C15H11F4N5O — CID 146513814

IUPACN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide
SMILESN#Cc1ncc(NC(=O)C2(n3cc(F)cn3)CCC2)cc1C(F)(F)F
InChIInChI=1S/C15H11F4N5O/c16-9-6-22-24(8-9)14(2-1-3-14)13(25)23-10-4-11(15(17,18)19)12(5-20)21-7-10/h4,6-8H,1-3H2,(H,23,25)
InChIKeyUXSPXXQIBSKNEJ-UHFFFAOYSA-N
MW353.28 g/mol
LogP2.83
Rot. Bonds3

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

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide (PubChem CID 146513814) has the molecular formula C15H11F4N5O and a molecular weight of 353.28 g/mol. Its IUPAC name is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide
PubChem CID146513814
Molecular FormulaC15H11F4N5O
Molecular Weight353.28 g/mol
Exact Mass353.09
IUPAC NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide
SMILESN#Cc1ncc(NC(=O)C2(n3cc(F)cn3)CCC2)cc1C(F)(F)F
InChIInChI=1S/C15H11F4N5O/c16-9-6-22-24(8-9)14(2-1-3-14)13(25)23-10-4-11(15(17,18)19)12(5-20)21-7-10/h4,6-8H,1-3H2,(H,23,25)
InChIKeyUXSPXXQIBSKNEJ-UHFFFAOYSA-N
XLogP2.83
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 52.83
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]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide (CID 146513814) is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide is N#Cc1ncc(NC(=O)C2(n3cc(F)cn3)CCC2)cc1C(F)(F)F.
What is the InChIKey of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide?
The InChIKey is UXSPXXQIBSKNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5O/c16-9-6-22-24(8-9)14(2-1-3-14)13(25)23-10-4-11(15(17,18)19)12(5-20)21-7-10/h4,6-8H,1-3H2,(H,23,25).
What are the key properties of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide?
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide has a molecular weight of 353.28 g/mol, XLogP of 2.83, 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]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 146513814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).