2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide

C14H17FN4O2 — CID 66010802

IUPAC2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide
SMILESCC(C)c1nn(C)c(Oc2cccc(F)c2C(N)=O)c1N
InChIInChI=1S/C14H17FN4O2/c1-7(2)12-11(16)14(19(3)18-12)21-9-6-4-5-8(15)10(9)13(17)20/h4-7H,16H2,1-3H3,(H2,17,20)
InChIKeyDJQUWSWFXQYNFD-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide

2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide (PubChem CID 66010802) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide.

Molecular Properties

Compound Name2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide
PubChem CID66010802
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide
SMILESCC(C)c1nn(C)c(Oc2cccc(F)c2C(N)=O)c1N
InChIInChI=1S/C14H17FN4O2/c1-7(2)12-11(16)14(19(3)18-12)21-9-6-4-5-8(15)10(9)13(17)20/h4-7H,16H2,1-3H3,(H2,17,20)
InChIKeyDJQUWSWFXQYNFD-UHFFFAOYSA-N
XLogP2.16
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
CID 66013536
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
1-methyl-3-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrazol-4-amine
CID 66012353
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide
CID 107259866
5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66012953
2-fluoro-6-[2-(methylaminomethyl)phenoxy]benzamide
CID 106485411
2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
2-(2-carbamoyl-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 43609549
5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017182

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide?
The IUPAC name of 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide (CID 66010802) is 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide.
What is the SMILES notation for 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide?
The canonical SMILES for 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide is CC(C)c1nn(C)c(Oc2cccc(F)c2C(N)=O)c1N.
What is the InChIKey of 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide?
The InChIKey is DJQUWSWFXQYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-7(2)12-11(16)14(19(3)18-12)21-9-6-4-5-8(15)10(9)13(17)20/h4-7H,16H2,1-3H3,(H2,17,20).
What are the key properties of 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide?
2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide has a molecular weight of 292.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxy-6-fluorobenzamide is sourced from PubChem (CID 66010802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).