N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide

C9H17N3O2S — CID 60912366

IUPACN-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H17N3O2S/c1-4-6-12(5-2)15(13,14)9-7-10-11-8(9)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyPXMGNWVOQNSLNT-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.14
Rot. Bonds5

About N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide

N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide (PubChem CID 60912366) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
PubChem CID60912366
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H17N3O2S/c1-4-6-12(5-2)15(13,14)9-7-10-11-8(9)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyPXMGNWVOQNSLNT-UHFFFAOYSA-N
XLogP1.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide
CID 60959125
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
N-[(3-aminophenyl)methyl]-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911327
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 62009033
N-[4-(aminomethyl)phenyl]-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60911604
N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113248089
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 112551419
5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
CID 61110324

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide (CID 60912366) is N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide is CCCN(CC)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PXMGNWVOQNSLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-6-12(5-2)15(13,14)9-7-10-11-8(9)3/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide?
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).