N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide

C22H25N3O3 — CID 19327822

IUPACN-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)NCCCn2nccc2C)o1
InChIInChI=1S/C22H25N3O3/c1-3-7-18-8-4-5-9-20(18)27-16-19-10-11-21(28-19)22(26)23-13-6-15-25-17(2)12-14-24-25/h3-5,8-12,14H,1,6-7,13,15-16H2,2H3,(H,23,26)
InChIKeyFVPUQXUKNHOINL-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.91
Rot. Bonds10

About N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide

N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19327822) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
PubChem CID19327822
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)NCCCn2nccc2C)o1
InChIInChI=1S/C22H25N3O3/c1-3-7-18-8-4-5-9-20(18)27-16-19-10-11-21(28-19)22(26)23-13-6-15-25-17(2)12-14-24-25/h3-5,8-12,14H,1,6-7,13,15-16H2,2H3,(H,23,26)
InChIKeyFVPUQXUKNHOINL-UHFFFAOYSA-N
XLogP3.91
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292580
N-[(1-methylpyrazol-4-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292377
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19294282
N-(cyclopropylmethyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 95756196
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19459621
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19463558
1-methyl-4-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19406103
N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448799
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609
5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide
CID 35336566
1-ethyl-4-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398445
N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448810

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide (CID 19327822) is N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide is C=CCc1ccccc1OCc1ccc(C(=O)NCCCn2nccc2C)o1.
What is the InChIKey of N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is FVPUQXUKNHOINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-7-18-8-4-5-9-20(18)27-16-19-10-11-21(28-19)22(26)23-13-6-15-25-17(2)12-14-24-25/h3-5,8-12,14H,1,6-7,13,15-16H2,2H3,(H,23,26).
What are the key properties of N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19327822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).