N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C30H39F4N5O2S — CID 42877844

IUPACN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H39F4N5O2S/c1-6-28-27(20-38(19-21(2)3)42(40,41)26-9-7-8-23(18-26)30(32,33)34)29(37-16-14-36(15-17-37)22(4)5)39(35-28)25-12-10-24(31)11-13-25/h7-13,18,21-22H,6,14-17,19-20H2,1-5H3
InChIKeyFFSYIUBRFZZWTE-UHFFFAOYSA-N
MW609.73 g/mol
LogP5.97
Rot. Bonds10

About N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide

N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 42877844) has the molecular formula C30H39F4N5O2S and a molecular weight of 609.73 g/mol. Its IUPAC name is N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID42877844
Molecular FormulaC30H39F4N5O2S
Molecular Weight609.73 g/mol
Exact Mass609.28
IUPAC NameN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H39F4N5O2S/c1-6-28-27(20-38(19-21(2)3)42(40,41)26-9-7-8-23(18-26)30(32,33)34)29(37-16-14-36(15-17-37)22(4)5)39(35-28)25-12-10-24(31)11-13-25/h7-13,18,21-22H,6,14-17,19-20H2,1-5H3
InChIKeyFFSYIUBRFZZWTE-UHFFFAOYSA-N
XLogP5.97
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-propylbenzenesulfonamide
CID 46080833
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-propyl-3,5-bis(trifluoromethyl)benzamide
CID 46080673
(2R)-2-chloro-N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 93009284
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 46078076
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-3,3-dimethyl-N-propylbutanamide
CID 46080667
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 46080661
3-butyl-1-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-1-propylurea
CID 46080784
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 42878063
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46080843
4-tert-butyl-N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 46078078
[3-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4592422

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 42877844) is N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FFSYIUBRFZZWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39F4N5O2S/c1-6-28-27(20-38(19-21(2)3)42(40,41)26-9-7-8-23(18-26)30(32,33)34)29(37-16-14-36(15-17-37)22(4)5)39(35-28)25-12-10-24(31)11-13-25/h7-13,18,21-22H,6,14-17,19-20H2,1-5H3.
What are the key properties of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 609.73 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 42877844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).