N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine

C14H17F2N3O2S — CID 71922445

IUPACN-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine
SMILESCC(Nc1ccn(CCS(C)(=O)=O)n1)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3O2S/c1-10(14-11(15)4-3-5-12(14)16)17-13-6-7-19(18-13)8-9-22(2,20)21/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyMWODPCJMTAHRTP-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.38
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine

N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine (PubChem CID 71922445) has the molecular formula C14H17F2N3O2S and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine
PubChem CID71922445
Molecular FormulaC14H17F2N3O2S
Molecular Weight329.37 g/mol
Exact Mass329.10
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine
SMILESCC(Nc1ccn(CCS(C)(=O)=O)n1)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3O2S/c1-10(14-11(15)4-3-5-12(14)16)17-13-6-7-19(18-13)8-9-22(2,20)21/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyMWODPCJMTAHRTP-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine (CID 71922445) is N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine is CC(Nc1ccn(CCS(C)(=O)=O)n1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The InChIKey is MWODPCJMTAHRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2S/c1-10(14-11(15)4-3-5-12(14)16)17-13-6-7-19(18-13)8-9-22(2,20)21/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine?
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine has a molecular weight of 329.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine is sourced from PubChem (CID 71922445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).