N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide

C9H13ClFN3O — CID 146377919

IUPACN-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide
SMILESCC(=O)Nc1c(F)nn(C(C)(C)C)c1Cl
InChIInChI=1S/C9H13ClFN3O/c1-5(15)12-6-7(10)14(9(2,3)4)13-8(6)11/h1-4H3,(H,12,15)
InChIKeyXHCYEWDZRFYRKW-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.39
Rot. Bonds1

About N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide

N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide (PubChem CID 146377919) has the molecular formula C9H13ClFN3O and a molecular weight of 233.67 g/mol. Its IUPAC name is N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide
PubChem CID146377919
Molecular FormulaC9H13ClFN3O
Molecular Weight233.67 g/mol
Exact Mass233.07
IUPAC NameN-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide
SMILESCC(=O)Nc1c(F)nn(C(C)(C)C)c1Cl
InChIInChI=1S/C9H13ClFN3O/c1-5(15)12-6-7(10)14(9(2,3)4)13-8(6)11/h1-4H3,(H,12,15)
InChIKeyXHCYEWDZRFYRKW-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide
CID 146379239
N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide
CID 147100031
1-tert-butyl-4-(difluoromethyl)-3-fluoro-5-iodopyrazole
CID 153449724
1-tert-butyl-5-chloro-3-methylpyrazole-4-carbonyl chloride
CID 119027926
5-bromo-1-tert-butyl-4-chloro-3-fluoropyrazole
CID 147365777
N-(2,4-ditert-butyl-6-chlorophenyl)acetamide
CID 12858544
N-(4-amino-2-chloro-6-fluorophenyl)acetamide
CID 2779532
1-tert-butyl-5-chloro-3,4-diiodopyrazole
CID 146377289
4-bromo-1-tert-butyl-5-(difluoromethyl)-3-fluoropyrazole
CID 153449561
N-(6-chloro-2-fluoro-3-methylphenyl)acetamide
CID 67957585
1-tert-butyl-5-chloro-4-(difluoromethyl)-3-methylpyrazole
CID 153449685
N-(3,5-diamino-2,4,6-triiodophenyl)acetamide
CID 88683947

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide?
The IUPAC name of N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide (CID 146377919) is N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide is CC(=O)Nc1c(F)nn(C(C)(C)C)c1Cl.
What is the InChIKey of N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide?
The InChIKey is XHCYEWDZRFYRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFN3O/c1-5(15)12-6-7(10)14(9(2,3)4)13-8(6)11/h1-4H3,(H,12,15).
What are the key properties of N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide?
N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide has a molecular weight of 233.67 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide is sourced from PubChem (CID 146377919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).