5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide

C18H20N4O2 — CID 164609494

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide
SMILESCNc1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1
InChIInChI=1S/C18H20N4O2/c1-12-10-13(2)22(21-12)11-14-8-9-17(24-14)18(23)20-16-7-5-4-6-15(16)19-3/h4-10,19H,11H2,1-3H3,(H,20,23)
InChIKeyXINFDHKRJOTOLY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.44
Rot. Bonds5

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide (PubChem CID 164609494) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide
PubChem CID164609494
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide
SMILESCNc1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1
InChIInChI=1S/C18H20N4O2/c1-12-10-13(2)22(21-12)11-14-8-9-17(24-14)18(23)20-16-7-5-4-6-15(16)19-3/h4-10,19H,11H2,1-3H3,(H,20,23)
InChIKeyXINFDHKRJOTOLY-UHFFFAOYSA-N
XLogP3.44
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide (CID 164609494) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide is CNc1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide?
The InChIKey is XINFDHKRJOTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-10-13(2)22(21-12)11-14-8-9-17(24-14)18(23)20-16-7-5-4-6-15(16)19-3/h4-10,19H,11H2,1-3H3,(H,20,23).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 164609494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).