2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide

C14H17FN4O — CID 82703106

IUPAC2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide
SMILESCCc1nn(-c2cccc(F)c2C(N)=O)c(CC)c1N
InChIInChI=1S/C14H17FN4O/c1-3-9-13(16)10(4-2)19(18-9)11-7-5-6-8(15)12(11)14(17)20/h5-7H,3-4,16H2,1-2H3,(H2,17,20)
InChIKeyNNEJDUKRKWDELH-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide

2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide (PubChem CID 82703106) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide
PubChem CID82703106
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide
SMILESCCc1nn(-c2cccc(F)c2C(N)=O)c(CC)c1N
InChIInChI=1S/C14H17FN4O/c1-3-9-13(16)10(4-2)19(18-9)11-7-5-6-8(15)12(11)14(17)20/h5-7H,3-4,16H2,1-2H3,(H2,17,20)
InChIKeyNNEJDUKRKWDELH-UHFFFAOYSA-N
XLogP1.82
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide?
The IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide (CID 82703106) is 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide?
The canonical SMILES for 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide is CCc1nn(-c2cccc(F)c2C(N)=O)c(CC)c1N.
What is the InChIKey of 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide?
The InChIKey is NNEJDUKRKWDELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-9-13(16)10(4-2)19(18-9)11-7-5-6-8(15)12(11)14(17)20/h5-7H,3-4,16H2,1-2H3,(H2,17,20).
What are the key properties of 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide?
2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide has a molecular weight of 276.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide is sourced from PubChem (CID 82703106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).