N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine

C14H17F2N3O2S — CID 71972984

IUPACN-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine
SMILESCC(Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3O2S/c1-10(11-3-4-12(15)13(16)9-11)17-14-5-6-19(18-14)7-8-22(2,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyRQPURLVEPYDOHN-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.38
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine

N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine (PubChem CID 71972984) has the molecular formula C14H17F2N3O2S and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine
PubChem CID71972984
Molecular FormulaC14H17F2N3O2S
Molecular Weight329.37 g/mol
Exact Mass329.10
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine
SMILESCC(Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3O2S/c1-10(11-3-4-12(15)13(16)9-11)17-14-5-6-19(18-14)7-8-22(2,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyRQPURLVEPYDOHN-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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Related Compounds

1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
CID 114251809
3-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazole
CID 66016143
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
1-[1-(3,4-difluorophenyl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 78834721
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
1-(3,4-difluorophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 62601882
6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 9107729
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82994028
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 47037655
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine (CID 71972984) is N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine is CC(Nc1ccn(CCS(C)(=O)=O)n1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine?
The InChIKey is RQPURLVEPYDOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2S/c1-10(11-3-4-12(15)13(16)9-11)17-14-5-6-19(18-14)7-8-22(2,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine?
N-[1-(3,4-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-(3,4-difluorophenyl)ethyl]-1-(2-methylsulfonylethyl)pyrazol-3-amine is sourced from PubChem (CID 71972984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).