5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide

C8H14N4O3S — CID 115454062

IUPAC5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C8H14N4O3S/c9-7-6(3-10-12-7)16(14,15)11-4-8(5-13)1-2-8/h3,11,13H,1-2,4-5H2,(H3,9,10,12)
InChIKeyRPGUEEIPXFFIFU-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.96
Rot. Bonds5

About 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 115454062) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID115454062
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C8H14N4O3S/c9-7-6(3-10-12-7)16(14,15)11-4-8(5-13)1-2-8/h3,11,13H,1-2,4-5H2,(H3,9,10,12)
InChIKeyRPGUEEIPXFFIFU-UHFFFAOYSA-N
XLogP-0.96
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 103965259
5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 65103400
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115454064
5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
CID 107316396
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 107229545
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454078
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 62526726
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454066
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313207
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide (CID 115454062) is 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCC1(CO)CC1.
What is the InChIKey of 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is RPGUEEIPXFFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c9-7-6(3-10-12-7)16(14,15)11-4-8(5-13)1-2-8/h3,11,13H,1-2,4-5H2,(H3,9,10,12).
What are the key properties of 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115454062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).