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

C16H15ClF3N3O — CID 1129752

IUPACN-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF3N3O/c17-11-6-4-10(5-7-11)8-21-14(24)9-23-13-3-1-2-12(13)15(22-23)16(18,19)20/h4-7H,1-3,8-9H2,(H,21,24)
InChIKeySOCYANDJFUTRBZ-UHFFFAOYSA-N
MW357.76 g/mol
LogP3.36
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 1129752) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID1129752
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF3N3O/c17-11-6-4-10(5-7-11)8-21-14(24)9-23-13-3-1-2-12(13)15(22-23)16(18,19)20/h4-7H,1-3,8-9H2,(H,21,24)
InChIKeySOCYANDJFUTRBZ-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 3136370
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106658
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129678
N-methyl-N-phenyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetamide
CID 168282890
N-(2,4-dichlorobenzyl)-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224543
N-(4-Fluoro-benzyl)-2-(3-trifluoromethyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-acetamide
CID 648382
N-(3-chlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129680
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 25107112
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 25107293
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrazol-4-yl]acetamide
CID 58157006
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(diethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157040

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 1129752) is N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is SOCYANDJFUTRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c17-11-6-4-10(5-7-11)8-21-14(24)9-23-13-3-1-2-12(13)15(22-23)16(18,19)20/h4-7H,1-3,8-9H2,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 357.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 1129752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).