N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide

C15H14N4O2S — CID 8892517

IUPACN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccnn1Cc1ccco1
InChIInChI=1S/C15H14N4O2S/c1-22-15-12(5-2-7-16-15)14(20)18-13-6-8-17-19(13)10-11-4-3-9-21-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyUCLZCXQLRRKQJY-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 8892517) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID8892517
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccnn1Cc1ccco1
InChIInChI=1S/C15H14N4O2S/c1-22-15-12(5-2-7-16-15)14(20)18-13-6-8-17-19(13)10-11-4-3-9-21-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyUCLZCXQLRRKQJY-UHFFFAOYSA-N
XLogP2.89
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892796
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 8006135
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9450575
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 39834834
2-ethoxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 8903088
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 35767660
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892613
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 39834947
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39834952
2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 18775282
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35767629
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 16568023

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 8892517) is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccnn1Cc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is UCLZCXQLRRKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-22-15-12(5-2-7-16-15)14(20)18-13-6-8-17-19(13)10-11-4-3-9-21-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 8892517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).