N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C18H19FN4O2S — CID 90359823

IUPACN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(CSC)o1)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C18H19FN4O2S/c1-4-22(18(24)17-6-5-15(25-17)11-26-3)16-10-23(21-12(16)2)14-7-13(19)8-20-9-14/h5-10H,4,11H2,1-3H3
InChIKeyUGWFPPLAIMDRBJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.84
Rot. Bonds6

About N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 90359823) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID90359823
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(CSC)o1)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C18H19FN4O2S/c1-4-22(18(24)17-6-5-15(25-17)11-26-3)16-10-23(21-12(16)2)14-7-13(19)8-20-9-14/h5-10H,4,11H2,1-3H3
InChIKeyUGWFPPLAIMDRBJ-UHFFFAOYSA-N
XLogP3.84
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpropanamide
CID 67499876
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methylsulfanylcyclopropane-1-carboxamide
CID 129150664
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90359824
N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
CID 90359775
4,4,4-trifluoro-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-propylbutanamide
CID 123391843
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
CID 90359786
N-[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-methyl-3-methylsulfanylpropanamide
CID 90308601
5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide
CID 122495870
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylbut-2-enamide
CID 67499275
N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpentanamide
CID 123362873
3-(3,4-dimethylpyrazol-1-yl)-5-fluoropyridine
CID 123217736
N-ethyl-4,5,5,5-tetrafluoro-N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-4-(trifluoromethyl)pentanamide
CID 162601975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 90359823) is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CCN(C(=O)c1ccc(CSC)o1)c1cn(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is UGWFPPLAIMDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-4-22(18(24)17-6-5-15(25-17)11-26-3)16-10-23(21-12(16)2)14-7-13(19)8-20-9-14/h5-10H,4,11H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 90359823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).