5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide

C11H19N5O3S — CID 138042156

IUPAC5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide
SMILESCN(C)S(=O)(=O)NCCNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C11H19N5O3S/c1-16(2)20(18,19)13-6-5-12-11(17)10-7-9(14-15-10)8-3-4-8/h7-8,13H,3-6H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyHLHFFGQXDCGTDE-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.59
Rot. Bonds7

About 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 138042156) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID138042156
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide
SMILESCN(C)S(=O)(=O)NCCNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C11H19N5O3S/c1-16(2)20(18,19)13-6-5-12-11(17)10-7-9(14-15-10)8-3-4-8/h7-8,13H,3-6H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyHLHFFGQXDCGTDE-UHFFFAOYSA-N
XLogP-0.59
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.59
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide (CID 138042156) is 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide is CN(C)S(=O)(=O)NCCNC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HLHFFGQXDCGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-16(2)20(18,19)13-6-5-12-11(17)10-7-9(14-15-10)8-3-4-8/h7-8,13H,3-6H2,1-2H3,(H,12,17)(H,14,15).
What are the key properties of 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 138042156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).