5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide

C23H22N4O3 — CID 95752870

IUPAC5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)Nc3cc(-c4ccncc4)[nH]n3)o2)cc1
InChIInChI=1S/C23H22N4O3/c1-15(2)16-3-5-18(6-4-16)29-14-19-7-8-21(30-19)23(28)25-22-13-20(26-27-22)17-9-11-24-12-10-17/h3-13,15H,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyGCVUMWOZNPUVKL-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.02
Rot. Bonds7

About 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide

5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide (PubChem CID 95752870) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
PubChem CID95752870
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)Nc3cc(-c4ccncc4)[nH]n3)o2)cc1
InChIInChI=1S/C23H22N4O3/c1-15(2)16-3-5-18(6-4-16)29-14-19-7-8-21(30-19)23(28)25-22-13-20(26-27-22)17-9-11-24-12-10-17/h3-13,15H,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyGCVUMWOZNPUVKL-UHFFFAOYSA-N
XLogP5.02
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide with MolForge

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Related Compounds

5-[(3-methoxyphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 75358510
5-[(2-methoxyphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 75358513
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19417254
5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
CID 95755086
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448138
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide (CID 95752870) is 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide is CC(C)c1ccc(OCc2ccc(C(=O)Nc3cc(-c4ccncc4)[nH]n3)o2)cc1.
What is the InChIKey of 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is GCVUMWOZNPUVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15(2)16-3-5-18(6-4-16)29-14-19-7-8-21(30-19)23(28)25-22-13-20(26-27-22)17-9-11-24-12-10-17/h3-13,15H,14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide?
5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 95752870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).