N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide

C12H24N4O2S — CID 102995753

IUPACN-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
SMILESCCN(CC)CCCN(CC)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H24N4O2S/c1-4-15(5-2)10-7-11-16(6-3)19(17,18)12-8-9-13-14-12/h8-9H,4-7,10-11H2,1-3H3,(H,13,14)
InChIKeyVTPQHCPZNRPJJK-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.15
Rot. Bonds9

About N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide

N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide (PubChem CID 102995753) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
PubChem CID102995753
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
SMILESCCN(CC)CCCN(CC)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H24N4O2S/c1-4-15(5-2)10-7-11-16(6-3)19(17,18)12-8-9-13-14-12/h8-9H,4-7,10-11H2,1-3H3,(H,13,14)
InChIKeyVTPQHCPZNRPJJK-UHFFFAOYSA-N
XLogP1.15
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-1H-imidazole-5-sulfonamide
CID 102995748
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate
CID 102692863
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692312
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide
CID 102995745
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102691107
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106609083
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
3-[2-methylpropyl(1H-pyrazol-5-ylsulfonyl)amino]propanethioamide
CID 102691182
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide (CID 102995753) is N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide is CCN(CC)CCCN(CC)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide?
The InChIKey is VTPQHCPZNRPJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-4-15(5-2)10-7-11-16(6-3)19(17,18)12-8-9-13-14-12/h8-9H,4-7,10-11H2,1-3H3,(H,13,14).
What are the key properties of N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide?
N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102995753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).