2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide

C17H23FN4O3S — CID 134542887

IUPAC2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCn1ccc(N)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C17H23FN4O3S/c1-12(21-26(23,24)9-8-22-7-6-17(19)20-22)14-4-5-15(18)16(10-14)25-11-13-2-3-13/h4-7,10,12-13,21H,2-3,8-9,11H2,1H3,(H2,19,20)
InChIKeyUVEUQPREYSXFMH-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.07
Rot. Bonds9

About 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide

2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide (PubChem CID 134542887) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide
PubChem CID134542887
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide
SMILESCC(NS(=O)(=O)CCn1ccc(N)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C17H23FN4O3S/c1-12(21-26(23,24)9-8-22-7-6-17(19)20-22)14-4-5-15(18)16(10-14)25-11-13-2-3-13/h4-7,10,12-13,21H,2-3,8-9,11H2,1H3,(H2,19,20)
InChIKeyUVEUQPREYSXFMH-UHFFFAOYSA-N
XLogP2.07
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide with MolForge

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Related Compounds

14-Ethylsulfonyl-6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene
CID 166626665
(6R)-9-fluoro-17-methanesulfonyl-13-oxa-2,17,21,22,25-pentaazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7,9,11,19 (26),20,23-heptaene
CID 54670531
6-Fluoro-2-methyl-14-methylsulfonyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene
CID 166626885
13-Ethylsulfonyl-2-methyl-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.14,8.018,22]tricosa-1(21),4(23),5,7,15(22),16,19-heptaene
CID 166628827
9-Fluoro-17-methylsulfonyl-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene
CID 76166237
1-tert-butylsulfonyl-5-[(2R)-2-[2-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole
CID 89618741
N-[4,4-difluoro-2-[[4-(4-methylpyrazol-1-yl)phenoxy]methyl]cyclohexyl]cyclopropanesulfonamide
CID 89927455
N-[(1S,2R)-4,4-difluoro-2-[[4-(4-methylpyrazol-1-yl)phenoxy]methyl]cyclohexyl]cyclopropanesulfonamide
CID 89927458
N-[(1S,2S)-4,4-difluoro-2-[[4-(4-methylpyrazol-1-yl)phenoxy]methyl]cyclohexyl]cyclopropanesulfonamide
CID 89944371
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide
CID 134542886
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide
CID 134542975
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-[3-(2,4-dioxoimidazolidin-1-yl)pyrazol-1-yl]ethanesulfonamide
CID 134542979

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide (CID 134542887) is 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide is CC(NS(=O)(=O)CCn1ccc(N)n1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide?
The InChIKey is UVEUQPREYSXFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-12(21-26(23,24)9-8-22-7-6-17(19)20-22)14-4-5-15(18)16(10-14)25-11-13-2-3-13/h4-7,10,12-13,21H,2-3,8-9,11H2,1H3,(H2,19,20).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide?
2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide has a molecular weight of 382.46 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]ethanesulfonamide is sourced from PubChem (CID 134542887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).