N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide

C14H14FN5O — CID 47057637

IUPACN-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide
SMILESN#Cc1c(F)cccc1NCCNC(=O)Cn1cccn1
InChIInChI=1S/C14H14FN5O/c15-12-3-1-4-13(11(12)9-16)17-6-7-18-14(21)10-20-8-2-5-19-20/h1-5,8,17H,6-7,10H2,(H,18,21)
InChIKeyGAZQMBKVGUIUNO-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide

N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 47057637) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide
PubChem CID47057637
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC NameN-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide
SMILESN#Cc1c(F)cccc1NCCNC(=O)Cn1cccn1
InChIInChI=1S/C14H14FN5O/c15-12-3-1-4-13(11(12)9-16)17-6-7-18-14(21)10-20-8-2-5-19-20/h1-5,8,17H,6-7,10H2,(H,18,21)
InChIKeyGAZQMBKVGUIUNO-UHFFFAOYSA-N
XLogP1.12
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide (CID 47057637) is N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide is N#Cc1c(F)cccc1NCCNC(=O)Cn1cccn1.
What is the InChIKey of N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is GAZQMBKVGUIUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c15-12-3-1-4-13(11(12)9-16)17-6-7-18-14(21)10-20-8-2-5-19-20/h1-5,8,17H,6-7,10H2,(H,18,21).
What are the key properties of N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide?
N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 287.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 47057637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).