(5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone

C13H14FN3O — CID 24971946

IUPAC(5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone
SMILESCCc1nn(C)c(N)c1C(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-3-10-11(13(15)17(2)16-10)12(18)8-6-4-5-7-9(8)14/h4-7H,3,15H2,1-2H3
InChIKeyCGUWCWRVSCYBGD-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.93
Rot. Bonds3

About (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone

(5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone (PubChem CID 24971946) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone
PubChem CID24971946
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name(5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone
SMILESCCc1nn(C)c(N)c1C(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-3-10-11(13(15)17(2)16-10)12(18)8-6-4-5-7-9(8)14/h4-7H,3,15H2,1-2H3
InChIKeyCGUWCWRVSCYBGD-UHFFFAOYSA-N
XLogP1.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone (CID 24971946) is (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone is CCc1nn(C)c(N)c1C(=O)c1ccccc1F.
What is the InChIKey of (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone?
The InChIKey is CGUWCWRVSCYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-10-11(13(15)17(2)16-10)12(18)8-6-4-5-7-9(8)14/h4-7H,3,15H2,1-2H3.
What are the key properties of (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone?
(5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone has a molecular weight of 247.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-ethyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 24971946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).