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

C16H17N3O3 — CID 3238151

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCc3ccco3)o2)n1
InChIInChI=1S/C16H17N3O3/c1-11-8-12(2)19(18-11)10-14-5-6-15(22-14)16(20)17-9-13-4-3-7-21-13/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyULGNSGVUFXWPEK-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.66
Rot. Bonds5

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (PubChem CID 3238151) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
PubChem CID3238151
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCc3ccco3)o2)n1
InChIInChI=1S/C16H17N3O3/c1-11-8-12(2)19(18-11)10-14-5-6-15(22-14)16(20)17-9-13-4-3-7-21-13/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyULGNSGVUFXWPEK-UHFFFAOYSA-N
XLogP2.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-(furan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (CID 3238151) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccco3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is ULGNSGVUFXWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-8-12(2)19(18-11)10-14-5-6-15(22-14)16(20)17-9-13-4-3-7-21-13/h3-8H,9-10H2,1-2H3,(H,17,20).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 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-(furan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3238151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).