N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H13F3N4O — CID 7789881

IUPACN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N/N=C1\CCc2ccccc21
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)13-7-8-22(21-13)9-14(23)20-19-12-6-5-10-3-1-2-4-11(10)12/h1-4,7-8H,5-6,9H2,(H,20,23)/b19-12+
InChIKeyAIXDPIKUWVQLLC-XDHOZWIPSA-N
MW322.29 g/mol
LogP2.37
Rot. Bonds3

About N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 7789881) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID7789881
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N/N=C1\CCc2ccccc21
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)13-7-8-22(21-13)9-14(23)20-19-12-6-5-10-3-1-2-4-11(10)12/h1-4,7-8H,5-6,9H2,(H,20,23)/b19-12+
InChIKeyAIXDPIKUWVQLLC-XDHOZWIPSA-N
XLogP2.37
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(2Z)-3-(4-isopropylphenyl)-2-methylprop-2-enylidene]acetohydrazide
CID 56642857
N'-{(1E,2E)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6889727
N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809212
N-(4-Methylbenzyl)-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamide
CID 4795609
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4878876
N-[(E)-(4-cyanophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6901574
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8839359
1-(2,3-dihydro-1H-inden-2-yl)-4-[(5-methyl-1H-pyrazol-1-yl)acetyl]-1,4-diazepane
CID 70746454
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-phenylmethylidene]acetohydrazide
CID 9556916
2-(3-phenyl-1H-pyrazol-1-yl)acetamide
CID 19835815
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936705

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 7789881) is N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)N/N=C1\CCc2ccccc21.
What is the InChIKey of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AIXDPIKUWVQLLC-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)13-7-8-22(21-13)9-14(23)20-19-12-6-5-10-3-1-2-4-11(10)12/h1-4,7-8H,5-6,9H2,(H,20,23)/b19-12+.
What are the key properties of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 322.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 7789881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).