4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide

C12H22N4O3S — CID 103340623

IUPAC4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1[nH]ncc1CNCC
InChIInChI=1S/C12H22N4O3S/c1-4-6-16(7-8-19-3)20(17,18)12-11(9-13-5-2)10-14-15-12/h4,10,13H,1,5-9H2,2-3H3,(H,14,15)
InChIKeyPPBRQOCSEFAARQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.34
Rot. Bonds10

About 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide (PubChem CID 103340623) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide
PubChem CID103340623
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1[nH]ncc1CNCC
InChIInChI=1S/C12H22N4O3S/c1-4-6-16(7-8-19-3)20(17,18)12-11(9-13-5-2)10-14-15-12/h4,10,13H,1,5-9H2,2-3H3,(H,14,15)
InChIKeyPPBRQOCSEFAARQ-UHFFFAOYSA-N
XLogP0.34
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide
CID 103340666
4-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228
N-(2-methoxyethyl)-N-prop-2-enyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 103340653
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
4-(ethylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-sulfonamide
CID 106082919
3-[2-methoxyethyl(prop-2-enyl)sulfamoyl]-2-methylbenzoic acid
CID 103338546
3-chloro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 107090912
1-ethyl-5-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyrrole-3-sulfonamide
CID 103340591
4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085113

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide (CID 103340623) is 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide is C=CCN(CCOC)S(=O)(=O)c1[nH]ncc1CNCC.
What is the InChIKey of 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide?
The InChIKey is PPBRQOCSEFAARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-4-6-16(7-8-19-3)20(17,18)12-11(9-13-5-2)10-14-15-12/h4,10,13H,1,5-9H2,2-3H3,(H,14,15).
What are the key properties of 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 103340623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).