N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide

C26H32N4O2 — CID 4543622

IUPACN'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
SMILESCCCCCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C26H32N4O2/c1-3-4-8-18-27-25(31)12-9-13-26(32)28-24-19-23(21-10-6-5-7-11-21)29-30(24)22-16-14-20(2)15-17-22/h5-7,10-11,14-17,19H,3-4,8-9,12-13,18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyDIYUSTRSNOUOIU-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.26
Rot. Bonds11

About N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide

N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide (PubChem CID 4543622) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide.

Molecular Properties

Compound NameN'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
PubChem CID4543622
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
SMILESCCCCCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C26H32N4O2/c1-3-4-8-18-27-25(31)12-9-13-26(32)28-24-19-23(21-10-6-5-7-11-21)29-30(24)22-16-14-20(2)15-17-22/h5-7,10-11,14-17,19H,3-4,8-9,12-13,18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyDIYUSTRSNOUOIU-UHFFFAOYSA-N
XLogP5.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide
CID 4275920
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
N'-(1,3-diphenylpyrazol-5-yl)-N-(furan-2-ylmethyl)pentanediamide
CID 3976771
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
4-methyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4669802
N'-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
CID 3971109
2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772360
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide?
The IUPAC name of N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide (CID 4543622) is N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide.
What is the SMILES notation for N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide?
The canonical SMILES for N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide is CCCCCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1.
What is the InChIKey of N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide?
The InChIKey is DIYUSTRSNOUOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-3-4-8-18-27-25(31)12-9-13-26(32)28-24-19-23(21-10-6-5-7-11-21)29-30(24)22-16-14-20(2)15-17-22/h5-7,10-11,14-17,19H,3-4,8-9,12-13,18H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide?
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide has a molecular weight of 432.57 g/mol, XLogP of 5.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide is sourced from PubChem (CID 4543622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).