N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine

C12H13F2N3O2S — CID 43543686

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(Nc2ccccc2S(=O)(=O)C(F)F)cn1
InChIInChI=1S/C12H13F2N3O2S/c1-2-17-8-9(7-15-17)16-10-5-3-4-6-11(10)20(18,19)12(13)14/h3-8,12,16H,2H2,1H3
InChIKeyRKDXFROVTSKSBX-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine

N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine (PubChem CID 43543686) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine
PubChem CID43543686
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(Nc2ccccc2S(=O)(=O)C(F)F)cn1
InChIInChI=1S/C12H13F2N3O2S/c1-2-17-8-9(7-15-17)16-10-5-3-4-6-11(10)20(18,19)12(13)14/h3-8,12,16H,2H2,1H3
InChIKeyRKDXFROVTSKSBX-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine (CID 43543686) is N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine is CCn1cc(Nc2ccccc2S(=O)(=O)C(F)F)cn1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine?
The InChIKey is RKDXFROVTSKSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-2-17-8-9(7-15-17)16-10-5-3-4-6-11(10)20(18,19)12(13)14/h3-8,12,16H,2H2,1H3.
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine?
N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine has a molecular weight of 301.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43543686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).