N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide

C20H24N4O2 — CID 129176759

IUPACN-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide
SMILESCn1nc(CCc2cccc(C(=O)NCCCN)c2)cc1-c1ccco1
InChIInChI=1S/C20H24N4O2/c1-24-18(19-7-3-12-26-19)14-17(23-24)9-8-15-5-2-6-16(13-15)20(25)22-11-4-10-21/h2-3,5-7,12-14H,4,8-11,21H2,1H3,(H,22,25)
InChIKeyNSFOKYBKKYJETH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.54
Rot. Bonds8

About N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide

N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide (PubChem CID 129176759) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide
PubChem CID129176759
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide
SMILESCn1nc(CCc2cccc(C(=O)NCCCN)c2)cc1-c1ccco1
InChIInChI=1S/C20H24N4O2/c1-24-18(19-7-3-12-26-19)14-17(23-24)9-8-15-5-2-6-16(13-15)20(25)22-11-4-10-21/h2-3,5-7,12-14H,4,8-11,21H2,1H3,(H,22,25)
InChIKeyNSFOKYBKKYJETH-UHFFFAOYSA-N
XLogP2.54
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
CID 71797298
3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide
CID 140608387
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]pyridine-3-carboxamide
CID 71797285
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
CID 71797311
3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
CID 113487169
N-butyl-3-(furan-2-yl)benzamide;propane
CID 159057604
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
3-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 71797339
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71797295
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide (CID 129176759) is N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide is Cn1nc(CCc2cccc(C(=O)NCCCN)c2)cc1-c1ccco1.
What is the InChIKey of N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide?
The InChIKey is NSFOKYBKKYJETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-24-18(19-7-3-12-26-19)14-17(23-24)9-8-15-5-2-6-16(13-15)20(25)22-11-4-10-21/h2-3,5-7,12-14H,4,8-11,21H2,1H3,(H,22,25).
What are the key properties of N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide?
N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 129176759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).