N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H22N4O3S — CID 65387817

IUPACN-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCC(C)(C)C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-6-8-10(20(13,18)19)9(16-15-8)11(17)14-7-12(2,3)4/h5-7H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyINRUENQIEDTDQJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.79
Rot. Bonds5

About N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65387817) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65387817
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCC(C)(C)C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-6-8-10(20(13,18)19)9(16-15-8)11(17)14-7-12(2,3)4/h5-7H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyINRUENQIEDTDQJ-UHFFFAOYSA-N
XLogP0.79
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373266
N-methyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375401
N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465781
N-(2-ethoxyethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386835
3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535
N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373238
3,3-dimethylbutyl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66226690
N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388449
3-[(2-methoxy-2-methylpropyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 104766638
N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374367
5-ethyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375595
5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65387817) is N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCC(C)(C)C)c1S(N)(=O)=O.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is INRUENQIEDTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-5-6-8-10(20(13,18)19)9(16-15-8)11(17)14-7-12(2,3)4/h5-7H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65387817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).