N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide

C21H21N3O2 — CID 126780198

IUPACN-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C21H21N3O2/c1-15(25)22-18-11-5-6-13-21(18)26-14-19-17-10-7-12-20(17)24(23-19)16-8-3-2-4-9-16/h2-6,8-9,11,13H,7,10,12,14H2,1H3,(H,22,25)
InChIKeyNWGZLAOTQAUHGR-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.90
Rot. Bonds5

About N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide

N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide (PubChem CID 126780198) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide
PubChem CID126780198
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C21H21N3O2/c1-15(25)22-18-11-5-6-13-21(18)26-14-19-17-10-7-12-20(17)24(23-19)16-8-3-2-4-9-16/h2-6,8-9,11,13H,7,10,12,14H2,1H3,(H,22,25)
InChIKeyNWGZLAOTQAUHGR-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide
CID 126780664
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55768565
3-[(4-nitrophenoxy)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 52810459
2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride
CID 120986692
3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 14576151
1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 47081061
3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55862192
N-[2-[(3-methylquinoxalin-2-yl)methoxy]phenyl]acetamide
CID 51072406
N-(2,4-dimethoxyphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17399023
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55891781
[2-(2,5-diethoxyanilino)-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 55485296

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide (CID 126780198) is N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide?
The InChIKey is NWGZLAOTQAUHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(25)22-18-11-5-6-13-21(18)26-14-19-17-10-7-12-20(17)24(23-19)16-8-3-2-4-9-16/h2-6,8-9,11,13H,7,10,12,14H2,1H3,(H,22,25).
What are the key properties of N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide?
N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 126780198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).