N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H22F3N3O2 — CID 110006362

IUPACN-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)CCNC(=O)Cn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C14H22F3N3O2/c1-13(2,3)5-6-18-11(22)9-20-8-10(4-7-21)12(19-20)14(15,16)17/h8,21H,4-7,9H2,1-3H3,(H,18,22)
InChIKeyIAMOGYQNNYFKRS-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.99
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 110006362) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID110006362
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC NameN-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)CCNC(=O)Cn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C14H22F3N3O2/c1-13(2,3)5-6-18-11(22)9-20-8-10(4-7-21)12(19-20)14(15,16)17/h8,21H,4-7,9H2,1-3H3,(H,18,22)
InChIKeyIAMOGYQNNYFKRS-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 110006362) is N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)(C)CCNC(=O)Cn1cc(CCO)c(C(F)(F)F)n1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is IAMOGYQNNYFKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-13(2,3)5-6-18-11(22)9-20-8-10(4-7-21)12(19-20)14(15,16)17/h8,21H,4-7,9H2,1-3H3,(H,18,22).
What are the key properties of N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 110006362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).