5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide

C26H24N4O3 — CID 19452545

IUPAC5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C26H24N4O3/c1-26(2,3)19-9-11-21(12-10-19)32-17-22-13-14-23(33-22)25(31)29-24-18(15-27)16-28-30(24)20-7-5-4-6-8-20/h4-14,16H,17H2,1-3H3,(H,29,31)
InChIKeyTZPHKCBEUNIACC-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.47
Rot. Bonds6

About 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide (PubChem CID 19452545) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
PubChem CID19452545
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C26H24N4O3/c1-26(2,3)19-9-11-21(12-10-19)32-17-22-13-14-23(33-22)25(31)29-24-18(15-27)16-28-30(24)20-7-5-4-6-8-20/h4-14,16H,17H2,1-3H3,(H,29,31)
InChIKeyTZPHKCBEUNIACC-UHFFFAOYSA-N
XLogP5.47
TPSA93.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450985
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19450652
N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452784
ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19413508
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19454931
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19465733
5-[(4-tert-butylphenoxy)methyl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95741087
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19465268
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079
N-(2-cyanophenyl)-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454573
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455424
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide (CID 19452545) is 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The InChIKey is TZPHKCBEUNIACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-26(2,3)19-9-11-21(12-10-19)32-17-22-13-14-23(33-22)25(31)29-24-18(15-27)16-28-30(24)20-7-5-4-6-8-20/h4-14,16H,17H2,1-3H3,(H,29,31).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide?
5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 19452545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).