N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H19N3O3S — CID 61245279

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(CO)CC(C)C
InChIInChI=1S/C10H19N3O3S/c1-7(2)4-9(6-14)13-17(15,16)10-5-11-12-8(10)3/h5,7,9,13-14H,4,6H2,1-3H3,(H,11,12)
InChIKeyXIVIMKWPMHWCHV-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.40
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61245279) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61245279
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(CO)CC(C)C
InChIInChI=1S/C10H19N3O3S/c1-7(2)4-9(6-14)13-17(15,16)10-5-11-12-8(10)3/h5,7,9,13-14H,4,6H2,1-3H3,(H,11,12)
InChIKeyXIVIMKWPMHWCHV-UHFFFAOYSA-N
XLogP0.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61245279) is N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC(CO)CC(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XIVIMKWPMHWCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7(2)4-9(6-14)13-17(15,16)10-5-11-12-8(10)3/h5,7,9,13-14H,4,6H2,1-3H3,(H,11,12).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61245279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).