4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide

C15H15F3N4O4 — CID 46506012

IUPAC4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O4/c1-10-9-13(22(24)25)20-21(10)8-2-3-14(23)19-11-4-6-12(7-5-11)26-15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,19,23)
InChIKeyLNTHZOCFDXESFQ-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.42
Rot. Bonds7

About 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide

4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide (PubChem CID 46506012) has the molecular formula C15H15F3N4O4 and a molecular weight of 372.30 g/mol. Its IUPAC name is 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
PubChem CID46506012
Molecular FormulaC15H15F3N4O4
Molecular Weight372.30 g/mol
Exact Mass372.10
IUPAC Name4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
SMILESCc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O4/c1-10-9-13(22(24)25)20-21(10)8-2-3-14(23)19-11-4-6-12(7-5-11)26-15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,19,23)
InChIKeyLNTHZOCFDXESFQ-UHFFFAOYSA-N
XLogP3.42
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

3-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19541717
4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19583503
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 2238745
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541811
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105
N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521235
N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541775
3-(5-methyl-3-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]propanamide
CID 19541820
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide (CID 46506012) is 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide is Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is LNTHZOCFDXESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O4/c1-10-9-13(22(24)25)20-21(10)8-2-3-14(23)19-11-4-6-12(7-5-11)26-15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,19,23).
What are the key properties of 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide?
4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 372.30 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 46506012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).