3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide

C12H11ClF2N4O2 — CID 167589656

IUPAC3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(Cl)cc1C(=O)Nc1cc(F)c(=O)n(CCF)c1
InChIInChI=1S/C12H11ClF2N4O2/c1-18-9(5-10(13)17-18)11(20)16-7-4-8(15)12(21)19(6-7)3-2-14/h4-6H,2-3H2,1H3,(H,16,20)
InChIKeyIGPCKPDJVJQJFD-UHFFFAOYSA-N
MW316.70 g/mol
LogP1.60
Rot. Bonds4

About 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide

3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide (PubChem CID 167589656) has the molecular formula C12H11ClF2N4O2 and a molecular weight of 316.70 g/mol. Its IUPAC name is 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide
PubChem CID167589656
Molecular FormulaC12H11ClF2N4O2
Molecular Weight316.70 g/mol
Exact Mass316.05
IUPAC Name3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(Cl)cc1C(=O)Nc1cc(F)c(=O)n(CCF)c1
InChIInChI=1S/C12H11ClF2N4O2/c1-18-9(5-10(13)17-18)11(20)16-7-4-8(15)12(21)19(6-7)3-2-14/h4-6H,2-3H2,1H3,(H,16,20)
InChIKeyIGPCKPDJVJQJFD-UHFFFAOYSA-N
XLogP1.60
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide (CID 167589656) is 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide is Cn1nc(Cl)cc1C(=O)Nc1cc(F)c(=O)n(CCF)c1.
What is the InChIKey of 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is IGPCKPDJVJQJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4O2/c1-18-9(5-10(13)17-18)11(20)16-7-4-8(15)12(21)19(6-7)3-2-14/h4-6H,2-3H2,1H3,(H,16,20).
What are the key properties of 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide?
3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 316.70 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 167589656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).