N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine

C19H26FN3O2S — CID 59545309

IUPACN-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine
SMILESCCS(=O)(=O)CCC1CCC(Nc2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C19H26FN3O2S/c1-2-26(24,25)13-11-15-6-8-17(9-7-15)21-19-10-12-23(22-19)18-5-3-4-16(20)14-18/h3-5,10,12,14-15,17H,2,6-9,11,13H2,1H3,(H,21,22)
InChIKeyCPBWCANURLTIJD-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine

N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine (PubChem CID 59545309) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine
PubChem CID59545309
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC NameN-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine
SMILESCCS(=O)(=O)CCC1CCC(Nc2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C19H26FN3O2S/c1-2-26(24,25)13-11-15-6-8-17(9-7-15)21-19-10-12-23(22-19)18-5-3-4-16(20)14-18/h3-5,10,12,14-15,17H,2,6-9,11,13H2,1H3,(H,21,22)
InChIKeyCPBWCANURLTIJD-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 59230093
N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59230305
N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 59230641
N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]ethanesulfonamide
CID 59230742
N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
CID 59231033
N-[[4-[[1-(2-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 59231188
N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59231201
N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59231247
N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
CID 59231368
N-[[4-[[1-(2-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59231418
N-[[4-[[1-(2-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
CID 59231489
N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 59231510

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine?
The IUPAC name of N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine (CID 59545309) is N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine is CCS(=O)(=O)CCC1CCC(Nc2ccn(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine?
The InChIKey is CPBWCANURLTIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c1-2-26(24,25)13-11-15-6-8-17(9-7-15)21-19-10-12-23(22-19)18-5-3-4-16(20)14-18/h3-5,10,12,14-15,17H,2,6-9,11,13H2,1H3,(H,21,22).
What are the key properties of N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine?
N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine has a molecular weight of 379.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylsulfonylethyl)cyclohexyl]-1-(3-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 59545309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).