N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H22N4O4S — CID 104766756

IUPACN-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCOC(C)(C)CNC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O4S/c1-7(2)8-10(21(13,18)19)9(16-15-8)11(17)14-6-12(3,4)20-5/h7H,6H2,1-5H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyIUEDXAMNGYYDOH-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.34
Rot. Bonds6

About N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 104766756) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID104766756
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC NameN-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCOC(C)(C)CNC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O4S/c1-7(2)8-10(21(13,18)19)9(16-15-8)11(17)14-6-12(3,4)20-5/h7H,6H2,1-5H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyIUEDXAMNGYYDOH-UHFFFAOYSA-N
XLogP0.34
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 104766756) is N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide is COC(C)(C)CNC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is IUEDXAMNGYYDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-7(2)8-10(21(13,18)19)9(16-15-8)11(17)14-6-12(3,4)20-5/h7H,6H2,1-5H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 104766756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).