N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide

C11H22N4O3S — CID 122570703

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NCC(O)CN(C)C
InChIInChI=1S/C11H22N4O3S/c1-4-7-15-11(5-6-12-15)19(17,18)13-8-10(16)9-14(2)3/h5-6,10,13,16H,4,7-9H2,1-3H3
InChIKeyQYPFJZRSWSWJLM-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.51
Rot. Bonds8

About N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide

N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide (PubChem CID 122570703) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide
PubChem CID122570703
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NCC(O)CN(C)C
InChIInChI=1S/C11H22N4O3S/c1-4-7-15-11(5-6-12-15)19(17,18)13-8-10(16)9-14(2)3/h5-6,10,13,16H,4,7-9H2,1-3H3
InChIKeyQYPFJZRSWSWJLM-UHFFFAOYSA-N
XLogP-0.51
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide
CID 131896768
2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
CID 120713883
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
CID 72914852
N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide
CID 122560120
5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 125447798
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 110281226
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-propylpyrazole-3-sulfonamide
CID 131911046
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide
CID 131935320

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide (CID 122570703) is N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide is CCCn1nccc1S(=O)(=O)NCC(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide?
The InChIKey is QYPFJZRSWSWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-4-7-15-11(5-6-12-15)19(17,18)13-8-10(16)9-14(2)3/h5-6,10,13,16H,4,7-9H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide?
N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of -0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide is sourced from PubChem (CID 122570703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).