methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate

C9H16N4O4S — CID 114464571

IUPACmethyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C9H16N4O4S/c1-9(2,3)6-5-7(11-10-6)12-18(15,16)13-8(14)17-4/h5H,1-4H3,(H,13,14)(H2,10,11,12)
InChIKeyGCJFKUCPUALZHI-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.72
Rot. Bonds3

About methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate

methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate (PubChem CID 114464571) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate
PubChem CID114464571
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Namemethyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C9H16N4O4S/c1-9(2,3)6-5-7(11-10-6)12-18(15,16)13-8(14)17-4/h5H,1-4H3,(H,13,14)(H2,10,11,12)
InChIKeyGCJFKUCPUALZHI-UHFFFAOYSA-N
XLogP0.72
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole
CID 113258114
2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
CID 104621843
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 112695660
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate (CID 114464571) is methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate?
The InChIKey is GCJFKUCPUALZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-9(2,3)6-5-7(11-10-6)12-18(15,16)13-8(14)17-4/h5H,1-4H3,(H,13,14)(H2,10,11,12).
What are the key properties of methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate?
methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate has a molecular weight of 276.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate is sourced from PubChem (CID 114464571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).