4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide

C11H22N4O3S — CID 106044114

IUPAC4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1[nH]ncc1CO
InChIInChI=1S/C11H22N4O3S/c1-9(2)15(3)6-4-5-13-19(17,18)11-10(8-16)7-12-14-11/h7,9,13,16H,4-6,8H2,1-3H3,(H,12,14)
InChIKeyJJKZLQJHTAWGLT-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.09
Rot. Bonds8

About 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide

4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106044114) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide
PubChem CID106044114
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1[nH]ncc1CO
InChIInChI=1S/C11H22N4O3S/c1-9(2)15(3)6-4-5-13-19(17,18)11-10(8-16)7-12-14-11/h7,9,13,16H,4-6,8H2,1-3H3,(H,12,14)
InChIKeyJJKZLQJHTAWGLT-UHFFFAOYSA-N
XLogP-0.09
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide
CID 107818591
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106055677
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(hydroxymethyl)-1H-pyrazole-5-sulfonamide
CID 106013667
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 114188372
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106410541
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
N-(5-methylhexyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115327593
4-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide (CID 106044114) is 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide is CC(C)N(C)CCCNS(=O)(=O)c1[nH]ncc1CO.
What is the InChIKey of 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is JJKZLQJHTAWGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-9(2)15(3)6-4-5-13-19(17,18)11-10(8-16)7-12-14-11/h7,9,13,16H,4-6,8H2,1-3H3,(H,12,14).
What are the key properties of 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide?
4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106044114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).