N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H18F3N3O2 — CID 107202367

IUPACN-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(CCCCCO)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O2/c1-17(6-3-2-4-8-19)11(20)9-18-7-5-10(16-18)12(13,14)15/h5,7,19H,2-4,6,8-9H2,1H3
InChIKeySAAURWLCUIDRQN-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.52
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 107202367) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID107202367
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(CCCCCO)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O2/c1-17(6-3-2-4-8-19)11(20)9-18-7-5-10(16-18)12(13,14)15/h5,7,19H,2-4,6,8-9H2,1H3
InChIKeySAAURWLCUIDRQN-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 107202367) is N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CN(CCCCCO)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SAAURWLCUIDRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-17(6-3-2-4-8-19)11(20)9-18-7-5-10(16-18)12(13,14)15/h5,7,19H,2-4,6,8-9H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 293.29 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 107202367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).