N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide

C13H18F3N3O — CID 35290161

IUPACN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)C1CCC1
InChIInChI=1S/C13H18F3N3O/c1-9-8-11(13(14,15)16)18-19(9)7-3-6-17-12(20)10-4-2-5-10/h8,10H,2-7H2,1H3,(H,17,20)
InChIKeyHIUDKINTTZJNNT-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.52
Rot. Bonds5

About N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide (PubChem CID 35290161) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide
PubChem CID35290161
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)C1CCC1
InChIInChI=1S/C13H18F3N3O/c1-9-8-11(13(14,15)16)18-19(9)7-3-6-17-12(20)10-4-2-5-10/h8,10H,2-7H2,1H3,(H,17,20)
InChIKeyHIUDKINTTZJNNT-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide (CID 35290161) is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)C1CCC1.
What is the InChIKey of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide?
The InChIKey is HIUDKINTTZJNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9-8-11(13(14,15)16)18-19(9)7-3-6-17-12(20)10-4-2-5-10/h8,10H,2-7H2,1H3,(H,17,20).
What are the key properties of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide?
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 35290161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).