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

C26H24N4O3 — CID 19450652

IUPAC5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C26H24N4O3/c1-3-18(2)19-9-11-22(12-10-19)32-17-23-13-14-24(33-23)26(31)29-25-20(15-27)16-28-30(25)21-7-5-4-6-8-21/h4-14,16,18H,3,17H2,1-2H3,(H,29,31)
InChIKeyRJPRSNASSRIGJV-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.68
Rot. Bonds8

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

5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide (PubChem CID 19450652) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
PubChem CID19450652
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C26H24N4O3/c1-3-18(2)19-9-11-22(12-10-19)32-17-23-13-14-24(33-23)26(31)29-25-20(15-27)16-28-30(25)21-7-5-4-6-8-21/h4-14,16,18H,3,17H2,1-2H3,(H,29,31)
InChIKeyRJPRSNASSRIGJV-UHFFFAOYSA-N
XLogP5.68
TPSA93.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19452545
N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450985
N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452784
5-[(4-butan-2-ylphenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 19450520
ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19413508
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
5-[(4-butan-2-ylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450441
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19454931
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19450595
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19465733
N-(2-cyanophenyl)-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454573

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide (CID 19450652) is 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide is CCC(C)c1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1.
What is the InChIKey of 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The InChIKey is RJPRSNASSRIGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-3-18(2)19-9-11-22(12-10-19)32-17-23-13-14-24(33-23)26(31)29-25-20(15-27)16-28-30(25)21-7-5-4-6-8-21/h4-14,16,18H,3,17H2,1-2H3,(H,29,31).
What are the key properties of 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide?
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 19450652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).