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

C16H15ClF3N3O2 — CID 1129757

IUPACN-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C16H15ClF3N3O2/c1-25-13-6-5-9(17)7-11(13)21-14(24)8-23-12-4-2-3-10(12)15(22-23)16(18,19)20/h5-7H,2-4,8H2,1H3,(H,21,24)
InChIKeyUBNMRSYLEMXWFH-UHFFFAOYSA-N
MW373.76 g/mol
LogP3.69
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 1129757) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID1129757
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C16H15ClF3N3O2/c1-25-13-6-5-9(17)7-11(13)21-14(24)8-23-12-4-2-3-10(12)15(22-23)16(18,19)20/h5-7H,2-4,8H2,1H3,(H,21,24)
InChIKeyUBNMRSYLEMXWFH-UHFFFAOYSA-N
XLogP3.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
N'-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 971950
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129711
1-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 1129747
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
1-(5-Chloro-2-methoxyphenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028490
1-(5-Chloro-2-methoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028462
N-(5-chloro-2-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711713
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1101547
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 16012208
3-(4-acetyl-3,5-dimethylpyrazolyl)-N-(5-chloro-2-methoxyphenyl)butanamide
CID 6459784
N-(5-chloro-2-methoxyphenyl)(S)-3-(4-chloro-3,5-dimethyl-1-pyrazolyl)butyramide
CID 7421278

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 1129757) is N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is UBNMRSYLEMXWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c1-25-13-6-5-9(17)7-11(13)21-14(24)8-23-12-4-2-3-10(12)15(22-23)16(18,19)20/h5-7H,2-4,8H2,1H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 373.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 1129757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).