N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide

C10H16FN3O2 — CID 146379239

IUPACN-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide
SMILESCOc1c(NC(C)=O)c(F)nn1C(C)(C)C
InChIInChI=1S/C10H16FN3O2/c1-6(15)12-7-8(11)13-14(9(7)16-5)10(2,3)4/h1-5H3,(H,12,15)
InChIKeyTYAVOFSLCSOQDR-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.74
Rot. Bonds2

About N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide

N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide (PubChem CID 146379239) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide
PubChem CID146379239
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC NameN-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide
SMILESCOc1c(NC(C)=O)c(F)nn1C(C)(C)C
InChIInChI=1S/C10H16FN3O2/c1-6(15)12-7-8(11)13-14(9(7)16-5)10(2,3)4/h1-5H3,(H,12,15)
InChIKeyTYAVOFSLCSOQDR-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide
CID 146377919
N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide
CID 147100031
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
CID 146377153
N-(2,6-difluoro-3,5-dimethoxyphenyl)acetamide
CID 150969889
1-tert-butyl-4-fluoro-5-methoxytriazole
CID 146378180
1,3-ditert-butyl-5-methoxypyrazole-4-carboxylic acid
CID 117124559
1-tert-butyl-4-fluoro-5-methoxypyrazole
CID 146376902
1-tert-butyl-3,5-dimethoxy-4-(trifluoromethyl)pyrazole
CID 146379044
1-tert-butyl-3-iodo-5-methoxy-4-(trifluoromethyl)pyrazole
CID 146379047
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
4-bromo-1-tert-butyl-5-(difluoromethyl)-3-fluoropyrazole
CID 153449561
2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol
CID 117124476

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide?
The IUPAC name of N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide (CID 146379239) is N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide is COc1c(NC(C)=O)c(F)nn1C(C)(C)C.
What is the InChIKey of N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide?
The InChIKey is TYAVOFSLCSOQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-6(15)12-7-8(11)13-14(9(7)16-5)10(2,3)4/h1-5H3,(H,12,15).
What are the key properties of N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide?
N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide has a molecular weight of 229.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide is sourced from PubChem (CID 146379239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).