5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide

C17H18N4O2S — CID 122495870

IUPAC5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide
SMILESCCSc1ccc(C(=O)N(C)c2cn(-c3cccnc3)nc2C)o1
InChIInChI=1S/C17H18N4O2S/c1-4-24-16-8-7-15(23-16)17(22)20(3)14-11-21(19-12(14)2)13-6-5-9-18-10-13/h5-11H,4H2,1-3H3
InChIKeyAIUDCGUDVFSCOX-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.56
Rot. Bonds5

About 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide

5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 122495870) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide
PubChem CID122495870
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide
SMILESCCSc1ccc(C(=O)N(C)c2cn(-c3cccnc3)nc2C)o1
InChIInChI=1S/C17H18N4O2S/c1-4-24-16-8-7-15(23-16)17(22)20(3)14-11-21(19-12(14)2)13-6-5-9-18-10-13/h5-11H,4H2,1-3H3
InChIKeyAIUDCGUDVFSCOX-UHFFFAOYSA-N
XLogP3.56
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359830
1-ethyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-propylurea
CID 69260543
N-ethyl-4,4,4-trifluoro-3-hydroxy-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)butanamide
CID 86664687
N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylcyclopropane-1-carboxamide
CID 69260848
N-cyclopropyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 69260896
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2,2-trimethyl-3-methylsulfanylpropanamide
CID 86705839
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 90359823
3-(2,2-difluoroethylamino)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide
CID 118945684
tert-butyl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynylcarbamate
CID 71519697
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide
CID 123808495
2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate
CID 90359834

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide (CID 122495870) is 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide is CCSc1ccc(C(=O)N(C)c2cn(-c3cccnc3)nc2C)o1.
What is the InChIKey of 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is AIUDCGUDVFSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-24-16-8-7-15(23-16)17(22)20(3)14-11-21(19-12(14)2)13-6-5-9-18-10-13/h5-11H,4H2,1-3H3.
What are the key properties of 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide?
5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 122495870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).