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

C17H18F3N3O — CID 798522

IUPACN-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1C
InChIInChI=1S/C17H18F3N3O/c1-10-6-7-12(8-11(10)2)21-15(24)9-23-14-5-3-4-13(14)16(22-23)17(18,19)20/h6-8H,3-5,9H2,1-2H3,(H,21,24)
InChIKeyBNFGKZMBPNQSAH-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.65
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 798522) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID798522
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1C
InChIInChI=1S/C17H18F3N3O/c1-10-6-7-12(8-11(10)2)21-15(24)9-23-14-5-3-4-13(14)16(22-23)17(18,19)20/h6-8H,3-5,9H2,1-2H3,(H,21,24)
InChIKeyBNFGKZMBPNQSAH-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 1225817
2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 1251996
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 3136370
5-Cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
CID 843371
N-[1-(3,4-Dimethyl-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-propionamide
CID 1078895
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6907378
2-[5,5-dimethyl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-2-yl]-N-methyl-N-phenylacetamide
CID 168269093
N-methyl-2-[4-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]-N-phenylacetamide
CID 168276942

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 798522) is N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is BNFGKZMBPNQSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-10-6-7-12(8-11(10)2)21-15(24)9-23-14-5-3-4-13(14)16(22-23)17(18,19)20/h6-8H,3-5,9H2,1-2H3,(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 798522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).