1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone

C11H9ClFN3O — CID 65360274

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESNc1[nH]ncc1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H9ClFN3O/c12-8-2-1-3-9(13)6(8)4-10(17)7-5-15-16-11(7)14/h1-3,5H,4H2,(H3,14,15,16)
InChIKeyWHJMFNKIPUEEQC-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.21
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 65360274) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID65360274
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESNc1[nH]ncc1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H9ClFN3O/c12-8-2-1-3-9(13)6(8)4-10(17)7-5-15-16-11(7)14/h1-3,5H,4H2,(H3,14,15,16)
InChIKeyWHJMFNKIPUEEQC-UHFFFAOYSA-N
XLogP2.21
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 65360274) is 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone is Nc1[nH]ncc1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is WHJMFNKIPUEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c12-8-2-1-3-9(13)6(8)4-10(17)7-5-15-16-11(7)14/h1-3,5H,4H2,(H3,14,15,16).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 253.66 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 65360274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).