N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C11H20N4O3S — CID 65373634

IUPACN-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCCNC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-4-5-6-13-11(16)9-10(19(12,17)18)8(7(2)3)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyMNKLRRGALCKLFB-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.71
Rot. Bonds6

About N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65373634) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65373634
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCCNC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-4-5-6-13-11(16)9-10(19(12,17)18)8(7(2)3)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyMNKLRRGALCKLFB-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(pentylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65369045
N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
pentyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65382504
N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 104766756
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
3-(3-methoxypropylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368308
N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388449
N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388696
N-ethyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373266
N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389011
N-(3-aminopropyl)-4-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 110833964
5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65373634) is N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCCCNC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O.
What is the InChIKey of N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is MNKLRRGALCKLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-5-6-13-11(16)9-10(19(12,17)18)8(7(2)3)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18).
What are the key properties of N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65373634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).