N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide

C21H23N3O3 — CID 19294282

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)NCc2cc(C)nn2C)o1
InChIInChI=1S/C21H23N3O3/c1-4-7-16-8-5-6-9-19(16)26-14-18-10-11-20(27-18)21(25)22-13-17-12-15(2)23-24(17)3/h4-6,8-12H,1,7,13-14H2,2-3H3,(H,22,25)
InChIKeyTXPDILRHLWXBEJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.56
Rot. Bonds8

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19294282) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
PubChem CID19294282
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)NCc2cc(C)nn2C)o1
InChIInChI=1S/C21H23N3O3/c1-4-7-16-8-5-6-9-19(16)26-14-18-10-11-20(27-18)21(25)22-13-17-12-15(2)23-24(17)3/h4-6,8-12H,1,7,13-14H2,2-3H3,(H,22,25)
InChIKeyTXPDILRHLWXBEJ-UHFFFAOYSA-N
XLogP3.56
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19292784
5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide
CID 35336566
N-[3-(5-methylpyrazol-1-yl)propyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19327822
N-(cyclopropylmethyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 95756196
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-(1-benzylpyrazol-3-yl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19286216
N-(3-methoxyphenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448770
N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448810
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19294335

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide (CID 19294282) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide is C=CCc1ccccc1OCc1ccc(C(=O)NCc2cc(C)nn2C)o1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is TXPDILRHLWXBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-7-16-8-5-6-9-19(16)26-14-18-10-11-20(27-18)21(25)22-13-17-12-15(2)23-24(17)3/h4-6,8-12H,1,7,13-14H2,2-3H3,(H,22,25).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19294282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).