N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine

C15H22N4O2S — CID 131892694

IUPACN-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine
SMILESCCN(CC)S(=O)(=O)N(C)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H22N4O2S/c1-4-19(5-2)22(20,21)18(3)12-14-11-16-17-15(14)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3,(H,16,17)
InChIKeyKFBBXQPOAQCREF-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.10
Rot. Bonds7

About N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine

N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine (PubChem CID 131892694) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine
PubChem CID131892694
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine
SMILESCCN(CC)S(=O)(=O)N(C)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H22N4O2S/c1-4-19(5-2)22(20,21)18(3)12-14-11-16-17-15(14)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3,(H,16,17)
InChIKeyKFBBXQPOAQCREF-UHFFFAOYSA-N
XLogP2.10
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77098082
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethylsulfonyl-N-methylethanamine
CID 166194678
N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 167773541
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196661
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 3914171
N,N'-dimethyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 86271990
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
(1R,2S,4R)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56748968
N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide
CID 72839693

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine?
The IUPAC name of N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine (CID 131892694) is N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine?
The canonical SMILES for N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine is CCN(CC)S(=O)(=O)N(C)Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine?
The InChIKey is KFBBXQPOAQCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-19(5-2)22(20,21)18(3)12-14-11-16-17-15(14)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine?
N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine has a molecular weight of 322.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine is sourced from PubChem (CID 131892694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).