5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide

C10H14F3N3O2 — CID 71847755

IUPAC5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
SMILESCOCCCCC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O2/c1-18-5-3-2-4-9(17)14-8-6-7(15-16-8)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyVDKFLGVCHUEQHZ-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.18
Rot. Bonds6

About 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide

5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide (PubChem CID 71847755) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
PubChem CID71847755
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
SMILESCOCCCCC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O2/c1-18-5-3-2-4-9(17)14-8-6-7(15-16-8)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyVDKFLGVCHUEQHZ-UHFFFAOYSA-N
XLogP2.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
5-methoxy-N-pyrazin-2-ylpentanamide
CID 75485096
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
2-(1-methyl-5-oxopyrrolidin-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 138026607
N-(5-methyl-1H-pyrazol-3-yl)nonanamide
CID 47289748
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide (CID 71847755) is 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide is COCCCCC(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide?
The InChIKey is VDKFLGVCHUEQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-18-5-3-2-4-9(17)14-8-6-7(15-16-8)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide?
5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide has a molecular weight of 265.23 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 71847755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).