N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide

C21H26FN3O — CID 71808401

IUPACN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C21H26FN3O/c22-16-11-9-15(10-12-16)13-21(26)23-14-19-18-7-3-4-8-20(18)25(24-19)17-5-1-2-6-17/h9-12,17H,1-8,13-14H2,(H,23,26)
InChIKeyFMRLAHLECVCHLI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.88
Rot. Bonds5

About N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 71808401) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
PubChem CID71808401
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C21H26FN3O/c22-16-11-9-15(10-12-16)13-21(26)23-14-19-18-7-3-4-8-20(18)25(24-19)17-5-1-2-6-17/h9-12,17H,1-8,13-14H2,(H,23,26)
InChIKeyFMRLAHLECVCHLI-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 71808427
2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide
CID 71808409
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]furan-2-carboxamide
CID 71808387
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide
CID 71808416
1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea
CID 71808441
2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490236
N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 86264431
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(4-nitrophenyl)acetamide
CID 90490237
N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 86264435
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
CID 90490188
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide (CID 71808401) is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCc1nn(C2CCCC2)c2c1CCCC2.
What is the InChIKey of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FMRLAHLECVCHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-16-11-9-15(10-12-16)13-21(26)23-14-19-18-7-3-4-8-20(18)25(24-19)17-5-1-2-6-17/h9-12,17H,1-8,13-14H2,(H,23,26).
What are the key properties of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71808401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).