5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

C22H27N3O3 — CID 19452599

IUPAC5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NCCCn3cccn3)o2)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)17-6-8-18(9-7-17)27-16-19-10-11-20(28-19)21(26)23-12-4-14-25-15-5-13-24-25/h5-11,13,15H,4,12,14,16H2,1-3H3,(H,23,26)
InChIKeyCLEQKBSGLFGJLC-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.17
Rot. Bonds8

About 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 19452599) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
PubChem CID19452599
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NCCCn3cccn3)o2)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)17-6-8-18(9-7-17)27-16-19-10-11-20(28-19)21(26)23-12-4-14-25-15-5-13-24-25/h5-11,13,15H,4,12,14,16H2,1-3H3,(H,23,26)
InChIKeyCLEQKBSGLFGJLC-UHFFFAOYSA-N
XLogP4.17
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methyl-4-nitrophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19332346
N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19332332
4-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]butanoyl chloride
CID 19452402
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19325798
5-[(4-fluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297951
N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457169
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
5-[(4-acetylphenoxy)methyl]-N-[3-(4-bromopyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297569
N-[3-(4-methylpyrazol-1-yl)propyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19328019
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
5-[(4-tert-butylphenoxy)methyl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95741087

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (CID 19452599) is 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)NCCCn3cccn3)o2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is CLEQKBSGLFGJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)17-6-8-18(9-7-17)27-16-19-10-11-20(28-19)21(26)23-12-4-14-25-15-5-13-24-25/h5-11,13,15H,4,12,14,16H2,1-3H3,(H,23,26).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 19452599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).