N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide

C20H25F3N4O3 — CID 112800332

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C20H25F3N4O3/c1-29-10-11-30-17-7-6-14(20(21,22)23)12-16(17)24-13-19(28)26-18-8-9-25-27(18)15-4-2-3-5-15/h6-9,12,15,24H,2-5,10-11,13H2,1H3,(H,26,28)
InChIKeyRCDNHBNPWBJTFS-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.09
Rot. Bonds9

About N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide (PubChem CID 112800332) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide
PubChem CID112800332
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C20H25F3N4O3/c1-29-10-11-30-17-7-6-14(20(21,22)23)12-16(17)24-13-19(28)26-18-8-9-25-27(18)15-4-2-3-5-15/h6-9,12,15,24H,2-5,10-11,13H2,1H3,(H,26,28)
InChIKeyRCDNHBNPWBJTFS-UHFFFAOYSA-N
XLogP4.09
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide (CID 112800332) is N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide is COCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is RCDNHBNPWBJTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-29-10-11-30-17-7-6-14(20(21,22)23)12-16(17)24-13-19(28)26-18-8-9-25-27(18)15-4-2-3-5-15/h6-9,12,15,24H,2-5,10-11,13H2,1H3,(H,26,28).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 426.44 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 112800332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).