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

C17H18F3N3O3 — CID 1129745

IUPACN-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c(OC)c1
InChIInChI=1S/C17H18F3N3O3/c1-25-10-6-7-12(14(8-10)26-2)21-15(24)9-23-13-5-3-4-11(13)16(22-23)17(18,19)20/h6-8H,3-5,9H2,1-2H3,(H,21,24)
InChIKeyAPUFCUMGOBCQSR-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.05
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 1129745) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID1129745
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c(OC)c1
InChIInChI=1S/C17H18F3N3O3/c1-25-10-6-7-12(14(8-10)26-2)21-15(24)9-23-13-5-3-4-11(13)16(22-23)17(18,19)20/h6-8H,3-5,9H2,1-2H3,(H,21,24)
InChIKeyAPUFCUMGOBCQSR-UHFFFAOYSA-N
XLogP3.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 1129745) is N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is APUFCUMGOBCQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-25-10-6-7-12(14(8-10)26-2)21-15(24)9-23-13-5-3-4-11(13)16(22-23)17(18,19)20/h6-8H,3-5,9H2,1-2H3,(H,21,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 1129745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).