N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide

C16H23N3O3S — CID 97004107

IUPACN-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C16H23N3O3S/c1-12-11-13(2)19(17-12)16-7-5-15(6-8-16)14(3)18-23(20,21)10-9-22-4/h5-8,11,14,18H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyCAUGKODPPWIDNU-CQSZACIVSA-N
MW337.45 g/mol
LogP2.12
Rot. Bonds7

About N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide

N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide (PubChem CID 97004107) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
PubChem CID97004107
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C16H23N3O3S/c1-12-11-13(2)19(17-12)16-7-5-15(6-8-16)14(3)18-23(20,21)10-9-22-4/h5-8,11,14,18H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyCAUGKODPPWIDNU-CQSZACIVSA-N
XLogP2.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)methanesulfonamide
CID 24826093
N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-propanesulfonamide
CID 24826368
N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)cyclopropanesulfonamide
CID 24826369
N-[(5-Isobutyl-4-methyl-1-phenyl-1H-pyrazol-3-yl)methyl]benzenesulfonamide
CID 118512798
N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]benzenesulfonamide
CID 40777672
N-[4-(2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-yl)-phenyl]-methanesulfonamide
CID 44291231
N-{4-[5-Difluoromethyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-phenyl}-methanesulfonamide
CID 44291579
2-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine
CID 16769902
N-[4-[3-(difluoromethyl)-1-phenylpyrazol-5-yl]phenyl]methanesulfonamide
CID 44291514
N-[4-(5-methyl-2-phenylpyrazol-3-yl)phenyl]methanesulfonamide
CID 44291582
N-[4-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]phenyl]methanesulfonamide
CID 44291625
N-[4-[3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-5-yl]phenyl]methanesulfonamide
CID 44291813

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide (CID 97004107) is N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide?
The InChIKey is CAUGKODPPWIDNU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-11-13(2)19(17-12)16-7-5-15(6-8-16)14(3)18-23(20,21)10-9-22-4/h5-8,11,14,18H,9-10H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide?
N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 97004107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).