1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol

C8H15N3O3S — CID 75357308

IUPAC1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol
SMILESCc1n[nH]c(C)c1S(=O)(=O)CC(O)CN
InChIInChI=1S/C8H15N3O3S/c1-5-8(6(2)11-10-5)15(13,14)4-7(12)3-9/h7,12H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyLUMOBVDGHFQEGH-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.88
Rot. Bonds4

About 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol

1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol (PubChem CID 75357308) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol
PubChem CID75357308
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol
SMILESCc1n[nH]c(C)c1S(=O)(=O)CC(O)CN
InChIInChI=1S/C8H15N3O3S/c1-5-8(6(2)11-10-5)15(13,14)4-7(12)3-9/h7,12H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyLUMOBVDGHFQEGH-UHFFFAOYSA-N
XLogP-0.88
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-3-hydroxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64540635
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 28708027
N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54987359
1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 115901960
(3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane
CID 123906722
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 55242170
N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
CID 63767372
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
CID 54592690
N-(1-amino-2-methylpropan-2-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 62007842
3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 170827509

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol?
The IUPAC name of 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol (CID 75357308) is 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol?
The canonical SMILES for 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol is Cc1n[nH]c(C)c1S(=O)(=O)CC(O)CN.
What is the InChIKey of 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol?
The InChIKey is LUMOBVDGHFQEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-5-8(6(2)11-10-5)15(13,14)4-7(12)3-9/h7,12H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol?
1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol has a molecular weight of 233.29 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol is sourced from PubChem (CID 75357308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).