2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide

C22H26N4O — CID 14699563

IUPAC2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide
SMILESCCNCCCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H26N4O/c1-2-23-14-9-15-24-21(27)17-26-22(19-12-7-4-8-13-19)20(16-25-26)18-10-5-3-6-11-18/h3-8,10-13,16,23H,2,9,14-15,17H2,1H3,(H,24,27)
InChIKeyCWPRVDHJKAJEFN-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.33
Rot. Bonds9

About 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide

2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide (PubChem CID 14699563) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide
PubChem CID14699563
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide
SMILESCCNCCCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H26N4O/c1-2-23-14-9-15-24-21(27)17-26-22(19-12-7-4-8-13-19)20(16-25-26)18-10-5-3-6-11-18/h3-8,10-13,16,23H,2,9,14-15,17H2,1H3,(H,24,27)
InChIKeyCWPRVDHJKAJEFN-UHFFFAOYSA-N
XLogP3.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.33
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-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide
CID 15158054
9-(4,5-diphenylpyrazol-1-yl)nonanoic acid
CID 10452166
2-[1-[2-(butylamino)-2-oxoethyl]-5-phenyltriazol-4-yl]acetic acid
CID 94942803
methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate
CID 14723696
N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20880030
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
(E)-but-2-enedioic acid;N-[3-(diethylamino)propyl]-2-(4,5-diphenylpyrazol-1-yl)-N-methylacetamide
CID 14699592
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556
3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine
CID 13409580

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide?
The IUPAC name of 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide (CID 14699563) is 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide.
What is the SMILES notation for 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide?
The canonical SMILES for 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide is CCNCCCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide?
The InChIKey is CWPRVDHJKAJEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-23-14-9-15-24-21(27)17-26-22(19-12-7-4-8-13-19)20(16-25-26)18-10-5-3-6-11-18/h3-8,10-13,16,23H,2,9,14-15,17H2,1H3,(H,24,27).
What are the key properties of 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide?
2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide is sourced from PubChem (CID 14699563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).