N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine

C11H11F2N3O2S — CID 43543793

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine
SMILESCn1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cn1
InChIInChI=1S/C11H11F2N3O2S/c1-16-7-9(6-14-16)15-8-2-4-10(5-3-8)19(17,18)11(12)13/h2-7,11,15H,1H3
InChIKeyNJMILHJRUAVNHK-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.16
Rot. Bonds4

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

N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine (PubChem CID 43543793) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine
PubChem CID43543793
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine
SMILESCn1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cn1
InChIInChI=1S/C11H11F2N3O2S/c1-16-7-9(6-14-16)15-8-2-4-10(5-3-8)19(17,18)11(12)13/h2-7,11,15H,1H3
InChIKeyNJMILHJRUAVNHK-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine (CID 43543793) is N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine is Cn1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cn1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine?
The InChIKey is NJMILHJRUAVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-16-7-9(6-14-16)15-8-2-4-10(5-3-8)19(17,18)11(12)13/h2-7,11,15H,1H3.
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine?
N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine has a molecular weight of 287.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43543793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).