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

C18H21F6N5O — CID 29092458

IUPACN-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1C[C@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H21F6N5O/c1-10(8-28-11(2)6-14(26-28)17(19,20)21)7-25-15(30)9-29-13-5-3-4-12(13)16(27-29)18(22,23)24/h6,10H,3-5,7-9H2,1-2H3,(H,25,30)/t10-/m1/s1
InChIKeyKPDXWFNXJRZWFP-SNVBAGLBSA-N
MW437.39 g/mol
LogP3.37
Rot. Bonds6

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

N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 29092458) has the molecular formula C18H21F6N5O and a molecular weight of 437.39 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID29092458
Molecular FormulaC18H21F6N5O
Molecular Weight437.39 g/mol
Exact Mass437.17
IUPAC NameN-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1C[C@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H21F6N5O/c1-10(8-28-11(2)6-14(26-28)17(19,20)21)7-25-15(30)9-29-13-5-3-4-12(13)16(27-29)18(22,23)24/h6,10H,3-5,7-9H2,1-2H3,(H,25,30)/t10-/m1/s1
InChIKeyKPDXWFNXJRZWFP-SNVBAGLBSA-N
XLogP3.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 19590870
N-[(2R)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 29092452
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 92614007
N-butan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 3136365
N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 19591071
N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267370
N-(2-ethylpyrimidin-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 138016921
N-[(2-methyltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 136565212
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485
N-[1-(4-chlorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 67203700
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 19590958
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523646

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 29092458) is N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1C[C@H](C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is KPDXWFNXJRZWFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H21F6N5O/c1-10(8-28-11(2)6-14(26-28)17(19,20)21)7-25-15(30)9-29-13-5-3-4-12(13)16(27-29)18(22,23)24/h6,10H,3-5,7-9H2,1-2H3,(H,25,30)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 437.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 29092458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).