5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C16H20FN3O2 — CID 46105032

IUPAC5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(C)C)nn2C)c(F)c1
InChIInChI=1S/C16H20FN3O2/c1-10(2)9-18-16(21)14-8-15(20(3)19-14)12-6-5-11(22-4)7-13(12)17/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeyXHEQZQAAEZSIQB-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.62
Rot. Bonds5

About 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide

5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 46105032) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID46105032
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(C)C)nn2C)c(F)c1
InChIInChI=1S/C16H20FN3O2/c1-10(2)9-18-16(21)14-8-15(20(3)19-14)12-6-5-11(22-4)7-13(12)17/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeyXHEQZQAAEZSIQB-UHFFFAOYSA-N
XLogP2.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46066843
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110336747
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 46171275
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110302080
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110900448
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
5-(2-chloro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82304558
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 46105032) is 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCC(C)C)nn2C)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is XHEQZQAAEZSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10(2)9-18-16(21)14-8-15(20(3)19-14)12-6-5-11(22-4)7-13(12)17/h5-8,10H,9H2,1-4H3,(H,18,21).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46105032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).