3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide

C15H19F3N6O3 — CID 4867240

IUPAC3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)CCn1ncc([N+](=O)[O-])c1C
InChIInChI=1S/C15H19F3N6O3/c1-10-8-13(15(16,17)18)21-22(10)6-3-5-19-14(25)4-7-23-11(2)12(9-20-23)24(26)27/h8-9H,3-7H2,1-2H3,(H,19,25)
InChIKeyFYLFOMKRIICRLE-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.22
Rot. Bonds8

About 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide

3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide (PubChem CID 4867240) has the molecular formula C15H19F3N6O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
PubChem CID4867240
Molecular FormulaC15H19F3N6O3
Molecular Weight388.35 g/mol
Exact Mass388.15
IUPAC Name3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)CCn1ncc([N+](=O)[O-])c1C
InChIInChI=1S/C15H19F3N6O3/c1-10-8-13(15(16,17)18)21-22(10)6-3-5-19-14(25)4-7-23-11(2)12(9-20-23)24(26)27/h8-9H,3-7H2,1-2H3,(H,19,25)
InChIKeyFYLFOMKRIICRLE-UHFFFAOYSA-N
XLogP2.22
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The IUPAC name of 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide (CID 4867240) is 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The canonical SMILES for 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)CCn1ncc([N+](=O)[O-])c1C.
What is the InChIKey of 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The InChIKey is FYLFOMKRIICRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O3/c1-10-8-13(15(16,17)18)21-22(10)6-3-5-19-14(25)4-7-23-11(2)12(9-20-23)24(26)27/h8-9H,3-7H2,1-2H3,(H,19,25).
What are the key properties of 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide has a molecular weight of 388.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-nitropyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide is sourced from PubChem (CID 4867240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).