N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide

C25H24N4O3 — CID 3976771

IUPACN'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C25H24N4O3/c30-24(26-18-21-13-8-16-32-21)14-7-15-25(31)27-23-17-22(19-9-3-1-4-10-19)28-29(23)20-11-5-2-6-12-20/h1-6,8-13,16-17H,7,14-15,18H2,(H,26,30)(H,27,31)
InChIKeyVQUKTGBTWDYOKD-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.56
Rot. Bonds9

About N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide

N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide (PubChem CID 3976771) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide.

Molecular Properties

Compound NameN'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide
PubChem CID3976771
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C25H24N4O3/c30-24(26-18-21-13-8-16-32-21)14-7-15-25(31)27-23-17-22(19-9-3-1-4-10-19)28-29(23)20-11-5-2-6-12-20/h1-6,8-13,16-17H,7,14-15,18H2,(H,26,30)(H,27,31)
InChIKeyVQUKTGBTWDYOKD-UHFFFAOYSA-N
XLogP4.56
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884425
3,4-dichloro-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 1060749
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 1060751
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
CID 7211158
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)heptanamide
CID 4304443
(E)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
CID 1056796
N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747939
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 42742042
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide?
The IUPAC name of N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide (CID 3976771) is N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide.
What is the SMILES notation for N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide?
The canonical SMILES for N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide is O=C(CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)NCc1ccco1.
What is the InChIKey of N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide?
The InChIKey is VQUKTGBTWDYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-24(26-18-21-13-8-16-32-21)14-7-15-25(31)27-23-17-22(19-9-3-1-4-10-19)28-29(23)20-11-5-2-6-12-20/h1-6,8-13,16-17H,7,14-15,18H2,(H,26,30)(H,27,31).
What are the key properties of N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide?
N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide has a molecular weight of 428.49 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide is sourced from PubChem (CID 3976771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).