3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide

C10H19N5O3S — CID 54992419

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H19N5O3S/c1-4-15(6-5-9(11)14-16)19(17,18)10-7(2)12-13-8(10)3/h16H,4-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyNYMJRGPHZYDBOM-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.17
Rot. Bonds6

About 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide (PubChem CID 54992419) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
PubChem CID54992419
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H19N5O3S/c1-4-15(6-5-9(11)14-16)19(17,18)10-7(2)12-13-8(10)3/h16H,4-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyNYMJRGPHZYDBOM-UHFFFAOYSA-N
XLogP0.17
TPSA124.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992468
N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 55242170
N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54987359
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62009456
3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992517
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
3-[ethyl-(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 76933286
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 76910468
3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60700329
N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 60960075
N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16767614
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992954

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide (CID 54992419) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is NYMJRGPHZYDBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-4-15(6-5-9(11)14-16)19(17,18)10-7(2)12-13-8(10)3/h16H,4-6H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 289.36 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54992419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).