N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide

C14H20N4O2S — CID 61248522

IUPACN-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C14H20N4O2S/c1-11-14(10-15-17-11)21(19,20)16-9-13(18(2)3)12-7-5-4-6-8-12/h4-8,10,13,16H,9H2,1-3H3,(H,15,17)
InChIKeyDIZUUTWXJTZGGF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61248522) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61248522
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C14H20N4O2S/c1-11-14(10-15-17-11)21(19,20)16-9-13(18(2)3)12-7-5-4-6-8-12/h4-8,10,13,16H,9H2,1-3H3,(H,15,17)
InChIKeyDIZUUTWXJTZGGF-UHFFFAOYSA-N
XLogP1.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106288856
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
2-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-3-pyridin-3-ylpropanoic acid
CID 146081413
5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115621438
N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 110620930
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 61248522) is N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DIZUUTWXJTZGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-14(10-15-17-11)21(19,20)16-9-13(18(2)3)12-7-5-4-6-8-12/h4-8,10,13,16H,9H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61248522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).