N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C25H26N4O3 — CID 134024755

IUPACN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccc(Cn3ccccc3=O)o2)cc1
InChIInChI=1S/C25H26N4O3/c1-25(2,3)19-9-7-18(8-10-19)16-29-22(13-14-26-29)27-24(31)21-12-11-20(32-21)17-28-15-5-4-6-23(28)30/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKeyIFUFWUPSUSSRPF-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.28
Rot. Bonds6

About N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024755) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024755
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccc(Cn3ccccc3=O)o2)cc1
InChIInChI=1S/C25H26N4O3/c1-25(2,3)19-9-7-18(8-10-19)16-29-22(13-14-26-29)27-24(31)21-12-11-20(32-21)17-28-15-5-4-6-23(28)30/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKeyIFUFWUPSUSSRPF-UHFFFAOYSA-N
XLogP4.28
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024755) is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccc(Cn3ccccc3=O)o2)cc1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is IFUFWUPSUSSRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-25(2,3)19-9-7-18(8-10-19)16-29-22(13-14-26-29)27-24(31)21-12-11-20(32-21)17-28-15-5-4-6-23(28)30/h4-15H,16-17H2,1-3H3,(H,27,31).
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).