1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide

C14H20N4O2S — CID 106016045

IUPAC1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C14H20N4O2S/c1-2-15-7-12-3-5-13(6-4-12)11-21(19,20)18-10-14-8-16-17-9-14/h3-6,8-9,15,18H,2,7,10-11H2,1H3,(H,16,17)
InChIKeyZPGKBCTYXAOPJD-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.14
Rot. Bonds8

About 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide

1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide (PubChem CID 106016045) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
PubChem CID106016045
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C14H20N4O2S/c1-2-15-7-12-3-5-13(6-4-12)11-21(19,20)18-10-14-8-16-17-9-14/h3-6,8-9,15,18H,2,7,10-11H2,1H3,(H,16,17)
InChIKeyZPGKBCTYXAOPJD-UHFFFAOYSA-N
XLogP1.14
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016137
1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
CID 106016143
1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 106077524
1-[4-(ethylaminomethyl)phenyl]-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 106423853
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
3-chloro-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 61003976
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 106068296
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
CID 106331914
2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
CID 61458135

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide (CID 106016045) is 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide is CCNCc1ccc(CS(=O)(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide?
The InChIKey is ZPGKBCTYXAOPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-15-7-12-3-5-13(6-4-12)11-21(19,20)18-10-14-8-16-17-9-14/h3-6,8-9,15,18H,2,7,10-11H2,1H3,(H,16,17).
What are the key properties of 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide?
1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106016045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).