4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide

C24H27N3O3 — CID 30007210

IUPAC4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C24H27N3O3/c1-2-29-21-14-6-7-15-22(21)30-17-9-16-23(28)25-24-19-12-8-13-20(19)26-27(24)18-10-4-3-5-11-18/h3-7,10-11,14-15H,2,8-9,12-13,16-17H2,1H3,(H,25,28)
InChIKeySCJQYUIZIFQLSD-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.56
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide

4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide (PubChem CID 30007210) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide
PubChem CID30007210
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C24H27N3O3/c1-2-29-21-14-6-7-15-22(21)30-17-9-16-23(28)25-24-19-12-8-13-20(19)26-27(24)18-10-4-3-5-11-18/h3-7,10-11,14-15H,2,8-9,12-13,16-17H2,1H3,(H,25,28)
InChIKeySCJQYUIZIFQLSD-UHFFFAOYSA-N
XLogP4.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 55412161
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871721
3-(2-methoxyphenoxy)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
CID 75418072
2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 30007516
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007381
4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
CID 7638259
4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 32948152
3-chloro-4,5-dimethoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007405
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
CID 30399323
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-diethoxybenzamide
CID 3464036

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide (CID 30007210) is 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide is CCOc1ccccc1OCCCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide?
The InChIKey is SCJQYUIZIFQLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-29-21-14-6-7-15-22(21)30-17-9-16-23(28)25-24-19-12-8-13-20(19)26-27(24)18-10-4-3-5-11-18/h3-7,10-11,14-15H,2,8-9,12-13,16-17H2,1H3,(H,25,28).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide?
4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide has a molecular weight of 405.50 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide is sourced from PubChem (CID 30007210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).