N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C18H20N4O2S — CID 24790242

IUPACN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(C)c2cnn(-c3ccccn3)c2C)o1
InChIInChI=1S/C18H20N4O2S/c1-12(21-18(23)16-8-7-14(24-16)11-25-3)15-10-20-22(13(15)2)17-6-4-5-9-19-17/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyBRKPFAYIMBMPFC-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.52
Rot. Bonds6

About N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 24790242) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID24790242
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(C)c2cnn(-c3ccccn3)c2C)o1
InChIInChI=1S/C18H20N4O2S/c1-12(21-18(23)16-8-7-14(24-16)11-25-3)15-10-20-22(13(15)2)17-6-4-5-9-19-17/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyBRKPFAYIMBMPFC-UHFFFAOYSA-N
XLogP3.52
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 24790242) is N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)NC(C)c2cnn(-c3ccccn3)c2C)o1.
What is the InChIKey of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is BRKPFAYIMBMPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12(21-18(23)16-8-7-14(24-16)11-25-3)15-10-20-22(13(15)2)17-6-4-5-9-19-17/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 24790242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).