N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C11H20N4O3S — CID 65373238

IUPACN-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)CC)c1S(N)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-4-6-8-10(19(12,17)18)9(15-14-8)11(16)13-7(3)5-2/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyAQWODDLIWOQIHF-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.54
Rot. Bonds6

About N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65373238) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65373238
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)CC)c1S(N)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-4-6-8-10(19(12,17)18)9(15-14-8)11(16)13-7(3)5-2/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyAQWODDLIWOQIHF-UHFFFAOYSA-N
XLogP0.54
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388449
3-(butan-2-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65368759
N-ethyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373266
N-methyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375401
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387817
N-(1-cyclopropylpropan-2-yl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388879
N-(2-ethoxyethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386835
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069
4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034501
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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65373238) is N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NC(C)CC)c1S(N)(=O)=O.
What is the InChIKey of N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is AQWODDLIWOQIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-6-8-10(19(12,17)18)9(15-14-8)11(16)13-7(3)5-2/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18).
What are the key properties of N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65373238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).