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

C21H21N3O3 — CID 126780664

IUPAC3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide
SMILESCOc1cccc(C(N)=O)c1OCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C21H21N3O3/c1-26-19-12-6-10-16(21(22)25)20(19)27-13-17-15-9-5-11-18(15)24(23-17)14-7-3-2-4-8-14/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H2,22,25)
InChIKeyCCNUSVKZUAZFRX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.05
Rot. Bonds6

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

3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide (PubChem CID 126780664) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound Name3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide
PubChem CID126780664
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide
SMILESCOc1cccc(C(N)=O)c1OCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C21H21N3O3/c1-26-19-12-6-10-16(21(22)25)20(19)27-13-17-15-9-5-11-18(15)24(23-17)14-7-3-2-4-8-14/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H2,22,25)
InChIKeyCCNUSVKZUAZFRX-UHFFFAOYSA-N
XLogP3.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide
CID 126780198
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55891781
3-(hydroxymethyl)-1-phenylindazole-7-carboxamide
CID 122604333
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
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 55485389
3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 14576151
(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl (2S)-1,4-dioxane-2-carboxylate
CID 97016585
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527492
2-[(2-methoxyphenyl)methoxy]-3-phenylbenzamide
CID 155145171
[1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol
CID 14576135

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide?
The IUPAC name of 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide (CID 126780664) is 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide.
What is the SMILES notation for 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide?
The canonical SMILES for 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide is COc1cccc(C(N)=O)c1OCc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide?
The InChIKey is CCNUSVKZUAZFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-19-12-6-10-16(21(22)25)20(19)27-13-17-15-9-5-11-18(15)24(23-17)14-7-3-2-4-8-14/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H2,22,25).
What are the key properties of 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide?
3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 126780664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).