3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide

C10H20N4O5S — CID 107843691

IUPAC3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(CO)(CO)CO)c(N)n1
InChIInChI=1S/C10H20N4O5S/c1-2-3-14-4-8(9(11)12-14)20(18,19)13-10(5-15,6-16)7-17/h4,13,15-17H,2-3,5-7H2,1H3,(H2,11,12)
InChIKeyIBMOSWHZAQQRGV-UHFFFAOYSA-N
MW308.36 g/mol
LogP-2.13
Rot. Bonds8

About 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide

3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide (PubChem CID 107843691) has the molecular formula C10H20N4O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
PubChem CID107843691
Molecular FormulaC10H20N4O5S
Molecular Weight308.36 g/mol
Exact Mass308.12
IUPAC Name3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(CO)(CO)CO)c(N)n1
InChIInChI=1S/C10H20N4O5S/c1-2-3-14-4-8(9(11)12-14)20(18,19)13-10(5-15,6-16)7-17/h4,13,15-17H,2-3,5-7H2,1H3,(H2,11,12)
InChIKeyIBMOSWHZAQQRGV-UHFFFAOYSA-N
XLogP-2.13
TPSA150.70 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 62524294
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide
CID 113485263
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
CID 60808316
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide (CID 107843691) is 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC(CO)(CO)CO)c(N)n1.
What is the InChIKey of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is IBMOSWHZAQQRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O5S/c1-2-3-14-4-8(9(11)12-14)20(18,19)13-10(5-15,6-16)7-17/h4,13,15-17H,2-3,5-7H2,1H3,(H2,11,12).
What are the key properties of 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide?
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of -2.13, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 107843691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).