N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide

C16H24N4O2S — CID 97338678

IUPACN-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide
SMILESCC(C)Cn1cc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cn1
InChIInChI=1S/C16H24N4O2S/c1-12(2)10-20-11-16(9-17-20)18-13(3)14-5-7-15(8-6-14)19-23(4,21)22/h5-9,11-13,18-19H,10H2,1-4H3/t13-/m1/s1
InChIKeyXIRMKODQIJUTST-CYBMUJFWSA-N
MW336.46 g/mol
LogP3.08
Rot. Bonds7

About N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 97338678) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID97338678
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide
SMILESCC(C)Cn1cc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cn1
InChIInChI=1S/C16H24N4O2S/c1-12(2)10-20-11-16(9-17-20)18-13(3)14-5-7-15(8-6-14)19-23(4,21)22/h5-9,11-13,18-19H,10H2,1-4H3/t13-/m1/s1
InChIKeyXIRMKODQIJUTST-CYBMUJFWSA-N
XLogP3.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide 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-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide
CID 75517284
4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
CID 71991616
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543267
2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 43695171
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931333
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
CID 84596891

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide (CID 97338678) is N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide is CC(C)Cn1cc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cn1.
What is the InChIKey of N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is XIRMKODQIJUTST-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12(2)10-20-11-16(9-17-20)18-13(3)14-5-7-15(8-6-14)19-23(4,21)22/h5-9,11-13,18-19H,10H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[[1-(2-methylpropyl)pyrazol-4-yl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 97338678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).