5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

C19H21N3O2 — CID 20876955

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-4-6-16(7-5-13)11-20-19(23)18-9-8-17(24-18)12-22-15(3)10-14(2)21-22/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyGROSZNYTFBVKSE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.38
Rot. Bonds5

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 20876955) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
PubChem CID20876955
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-4-6-16(7-5-13)11-20-19(23)18-9-8-17(24-18)12-22-15(3)10-14(2)21-22/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyGROSZNYTFBVKSE-UHFFFAOYSA-N
XLogP3.38
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (CID 20876955) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is GROSZNYTFBVKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-4-6-16(7-5-13)11-20-19(23)18-9-8-17(24-18)12-22-15(3)10-14(2)21-22/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 20876955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).