N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H19F3N6O3 — CID 19524311

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCn1cc(C(C)NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)c(C)n1
InChIInChI=1S/C15H19F3N6O3/c1-5-22-6-11(9(3)20-22)8(2)19-12(25)7-23-10(4)13(24(26)27)14(21-23)15(16,17)18/h6,8H,5,7H2,1-4H3,(H,19,25)
InChIKeyRRPODHIZVZWVDN-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19524311) has the molecular formula C15H19F3N6O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19524311
Molecular FormulaC15H19F3N6O3
Molecular Weight388.35 g/mol
Exact Mass388.15
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCn1cc(C(C)NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)c(C)n1
InChIInChI=1S/C15H19F3N6O3/c1-5-22-6-11(9(3)20-22)8(2)19-12(25)7-23-10(4)13(24(26)27)14(21-23)15(16,17)18/h6,8H,5,7H2,1-4H3,(H,19,25)
InChIKeyRRPODHIZVZWVDN-UHFFFAOYSA-N
XLogP2.52
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19524311) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCn1cc(C(C)NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is RRPODHIZVZWVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O3/c1-5-22-6-11(9(3)20-22)8(2)19-12(25)7-23-10(4)13(24(26)27)14(21-23)15(16,17)18/h6,8H,5,7H2,1-4H3,(H,19,25).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 388.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19524311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).