2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide

C18H20N4O2 — CID 166362233

IUPAC2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide
SMILESCc1cc(C)cc(-n2nc(NC(=O)c3ccoc3CN)cc2C)c1
InChIInChI=1S/C18H20N4O2/c1-11-6-12(2)8-14(7-11)22-13(3)9-17(21-22)20-18(23)15-4-5-24-16(15)10-19/h4-9H,10,19H2,1-3H3,(H,20,21,23)
InChIKeyMTWMUTFRCIYPIR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.10
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide

2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide (PubChem CID 166362233) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide
PubChem CID166362233
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide
SMILESCc1cc(C)cc(-n2nc(NC(=O)c3ccoc3CN)cc2C)c1
InChIInChI=1S/C18H20N4O2/c1-11-6-12(2)8-14(7-11)22-13(3)9-17(21-22)20-18(23)15-4-5-24-16(15)10-19/h4-9H,10,19H2,1-3H3,(H,20,21,23)
InChIKeyMTWMUTFRCIYPIR-UHFFFAOYSA-N
XLogP3.10
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide (CID 166362233) is 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide is Cc1cc(C)cc(-n2nc(NC(=O)c3ccoc3CN)cc2C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide?
The InChIKey is MTWMUTFRCIYPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-6-12(2)8-14(7-11)22-13(3)9-17(21-22)20-18(23)15-4-5-24-16(15)10-19/h4-9H,10,19H2,1-3H3,(H,20,21,23).
What are the key properties of 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide?
2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 166362233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).