2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide

C28H31N5O2 — CID 55814054

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C28H31N5O2/c1-20-26(21(2)33(31-20)24-16-10-5-11-17-24)27(34)28(35)32(3)18-12-6-9-15-23-19-25(30-29-23)22-13-7-4-8-14-22/h4-5,7-8,10-11,13-14,16-17,19H,6,9,12,15,18H2,1-3H3,(H,29,30)
InChIKeyJJMCFPXGVPBZIB-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.93
Rot. Bonds10

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide (PubChem CID 55814054) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
PubChem CID55814054
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C28H31N5O2/c1-20-26(21(2)33(31-20)24-16-10-5-11-17-24)27(34)28(35)32(3)18-12-6-9-15-23-19-25(30-29-23)22-13-7-4-8-14-22/h4-5,7-8,10-11,13-14,16-17,19H,6,9,12,15,18H2,1-3H3,(H,29,30)
InChIKeyJJMCFPXGVPBZIB-UHFFFAOYSA-N
XLogP4.93
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide (CID 55814054) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide?
The InChIKey is JJMCFPXGVPBZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-20-26(21(2)33(31-20)24-16-10-5-11-17-24)27(34)28(35)32(3)18-12-6-9-15-23-19-25(30-29-23)22-13-7-4-8-14-22/h4-5,7-8,10-11,13-14,16-17,19H,6,9,12,15,18H2,1-3H3,(H,29,30).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide has a molecular weight of 469.59 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide is sourced from PubChem (CID 55814054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).